@misc{beraldo_anticorrosive_properties_2024, author={Beraldo, C.H.M., Versteg, A., Spinelli, A., Scharnagl, N., da Conceição, T.F.}, title={Anticorrosive properties of chitosan-derivatives coatings on Mg AZ31 alloy in Hank's Balanced Salt Solution}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ijbiomac.2024.129390}, abstract = {This study describes the preparation of chitosan-derivatives coatings on AZ31 Mg alloy for corrosion protection in Hank's Balanced Salt Solution (HBSS). The derivatives were prepared by reacting chitosan with natural aldehydes (vanillin, benzaldehyde and cinnamaldehyde) and the coatings were characterized by means of water contact angle, scanning electron microscopy and swelling essays. The corrosion behavior of the samples was investigated using potentiodynamic polarization, electrochemical impedance spectroscopy and hydrogen evolution essays. All derivatives present superior corrosion protection than neat chitosan and the best performance is observed for the vanillin derivative with the highest modification degree, which present hydrogen evolution rate of 0.05 mL cm−2 day−1, below the tolerance limit for biomedical application, and |Z|max in the order of 104.6 Ω cm2 even after 14 days of exposure to the corrosive solution.}, note = {Online available at: \url{https://doi.org/10.1016/j.ijbiomac.2024.129390} (DOI). Beraldo, C.; Versteg, A.; Spinelli, A.; Scharnagl, N.; da Conceição, T.: Anticorrosive properties of chitosan-derivatives coatings on Mg AZ31 alloy in Hank's Balanced Salt Solution. International Journal of Biological Macromolecules. 2024. vol. 260 Part 1, 129390. DOI: 10.1016/j.ijbiomac.2024.129390}} @misc{mnasri_emergent__2024, author={Mnasri, N., Sassi, W., Msaadi, R. and Serdechnova, M., Blawert, C., Ammar, S.}, title={Emergent α- corundum nano-Al2O3 material for Eriochrome Black T removal}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1007/s42247-023-00623-8}, abstract = {The removal of Eriochrome Black T (EBT) from aqueous solutions by Al2O3 nanoparticles has been investigated as a function of contact time, initial EBT concentration, and temperature. The experimental design method generated optimum conditions as tc = 40 min, 55 mg/L, and T = 298 K. The maximum adsorption yield was 99.43%. The kinetics study was discussed using different kinetic models: Pseudo-first order (PFO) and pseudo-second order (PSO). The adsorption experiments of EBT show a better fit to the model pseudo second order (R2 = 0.999). The experimental data were analyzed by different isotherm models: Langmuir and Freundlich. Freundlich’s well-fitted modeling proved that the adsorption of EBT on alumina occurred as multilayers and on a heterogeneous surface. The thermodynamic study for the present process was performed by determining the values of ∆G°, ∆H°, and ∆S° indicate that the adsorption was spontaneous, physisorption and exothermic. The photocatalytic activity of alumina nanoparticles has been evaluated and leads to the degradation of the EBT molecules into small unharmful compounds.}, note = {Online available at: \url{https://doi.org/10.1007/s42247-023-00623-8} (DOI). Mnasri, N.; Sassi, W.; Msaadi, R.; Blawert, C.; Ammar, S.: Emergent α- corundum nano-Al2O3 material for Eriochrome Black T removal. Emergent Materials. 2024. DOI: 10.1007/s42247-023-00623-8}} @misc{qi_cellulose_nanofibriltitanate_2024, author={Qi, X., Xiong, X., Liu, M., Zhang, Y., Zhang, X., Jiang, P., Wu, Y., Guo, X., Tong, H.}, title={Cellulose nanofibril/titanate nanofiber modified with CdS quantum dots hydrogel with 3D porous structure: A stable photocatalytic adsorbent for Cr(VI) removal}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.carbpol.2023.121623}, abstract = {A novel cellulose nanofibril/titanate nanofiber modified with CdS quantum dots hydrogel (CTH) was synthesized as an effective, stable, and recyclable photocatalytic adsorbent using cellulose nanofibril (CN), titanate nanofiber (TN), and CdS quantum dots. Within the CTH structure, CN formed an essential framework, creating a three-dimensional (3D) porous structure that enhanced the specific surface area and provided abundant adsorption sites for Cr(VI). Simultaneously, TN modified with CdS quantum dots (TN-CdS) served as a nanoscale Z-type photocatalyst, facilitating the efficient separation of photoinduced electrons and holes, further increasing the photocatalytic efficiency. The morphological, chemical, and optical properties of CTH were thoroughly characterized. The CTH demonstrated the maximum theoretical adsorption capacity of 373.3 ± 14.2 mg/g, which was 3.4 times higher than that of CN hydrogel. Furthermore, the photocatalytic reduction rate constant of the CTH was 0.0586 ± 0.0038 min−1, which was 6.4 times higher than that of TN-CdS. Notably, CTH displayed outstanding stability, maintaining 84.9 % of its initial removal efficiency even after undergoing five consecutive adsorption–desorption cycles. The remarkable performance of CTH in Cr(VI) removal was attributed to its 3D porous structure, comprising CN and TN-CdS. These findings provide novel insights into developing a stable photocatalytic adsorbent for Cr(VI) removal.}, note = {Online available at: \url{https://doi.org/10.1016/j.carbpol.2023.121623} (DOI). Qi, X.; Xiong, X.; Liu, M.; Zhang, Y.; Zhang, X.; Jiang, P.; Wu, Y.; Guo, X.; Tong, H.: Cellulose nanofibril/titanate nanofiber modified with CdS quantum dots hydrogel with 3D porous structure: A stable photocatalytic adsorbent for Cr(VI) removal. Carbohydrate Polymers. 2024. vol. 326, 121623. DOI: 10.1016/j.carbpol.2023.121623}} @misc{yeshmanova_effect_of_2024, author={Yeshmanova, G., Blawert, C., Serdechnova, M., Wieland, F.D.C., Starykevich, M., Gazenbiller, E., Höche, D., Smagulov, D., Zheludkevich, M.L.}, title={Effect of electrolyte composition on the formation of PEO coatings on AA2024 aluminium alloy}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfin.2023.103797}, abstract = {Since the electrolyte composition plays a crucial role in the plasma electrolytic oxidation (PEO) coating formation process, a systematic and in-depth study was proposed to identify an electrolyte composition for fast PEO coating growth on AA2024 alloy. Different concentration ratios of mixed alkaline electrolytes (hydroxide, silicate and phosphate) were investigated. PEO process was conducted at low constant current density of 50 mA/cm2, which is intended for lowering the energy consumption. Results demonstrated that the breakdown voltage of PEO coatings is directly proportional to the logarithm of electrolyte resistivity. The coating growth mechanism showed two main directions. The thickening of the coating mainly depends on the rapid deposition of electrolyte compounds in Si-based electrolyte, and the coating growth occurs mainly towards the electrolyte/coating interface. Contrary, in OH-, and P-based electrolytes, the inward coating growth was dominating mainly by substrate oxidation. A variety of phases as a function of different electrolyte compositions and final voltages were observed. With high final voltages (over 470 V) for coatings produced in mixed electrolytes with low concentrations of hydroxide, silicate or phosphate (2 and 6 g/L), γ-Al2O3 crystalline phase predominates in the PEO layer composition. However, only a low efficiency of coating growth can be reached. In the electrolytes with high silicate concentrations accompanied by an increase of phosphate concentration, the final voltage is around 455 V and the coating composition is dominated by an amorphous phase in combination with crystalline mullite and γ-Al2O3. High silicate-phosphate contents (18–24 g/L) in mixed electrolytes with low final voltages of about 360 V results in a fully amorphous PEO layer and significantly increases coating thickness. A combination of low content of hydroxide, high silicate with increasing content of phosphate in mixed electrolyte increases the coating thickness, and improves the density and uniformity of the overall PEO layers.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfin.2023.103797} (DOI). Yeshmanova, G.; Blawert, C.; Serdechnova, M.; Wieland, F.; Starykevich, M.; Gazenbiller, E.; Höche, D.; Smagulov, D.; Zheludkevich, M.: Effect of electrolyte composition on the formation of PEO coatings on AA2024 aluminium alloy. Surfaces and Interfaces. 2024. vol. 44, 103797. DOI: 10.1016/j.surfin.2023.103797}} @misc{vaghefinazari_corrosion_inhibition_2024, author={Vaghefinazari, B., Lamaka, S.V., Gazenbiller, E., Yasakau, K., Blawert, C., Serdechnova, M., Scharnagl, N., Wieland, D.C.F., Zheludkevich, M.L.}, title={Corrosion inhibition of decylphosphonate on bare and PEO-coated Mg alloy}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2023.111651}, abstract = {PEO coatings, aside from their reasonable corrosion protection, also feature a porous microstructure that can serve as a repository for corrosion inhibitors. This study presents and investigates the high corrosion inhibition effect of sodium salt of decylphosphonate (DP) when incorporated into PEO coating on a magnesium substrate. The interaction of DP with both bare and PEO-coated magnesium substrates was studied to understand its corrosion inhibition mechanism. Additionally, a strategy to enhance the active anti-corrosion ability of the DP-containing system was suggested and examined. The findings provide new insights into the potential of surfactants as corrosion inhibitors for magnesium alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2023.111651} (DOI). Vaghefinazari, B.; Lamaka, S.; Gazenbiller, E.; Yasakau, K.; Blawert, C.; Serdechnova, M.; Scharnagl, N.; Wieland, D.; Zheludkevich, M.: Corrosion inhibition of decylphosphonate on bare and PEO-coated Mg alloy. Corrosion Science. 2024. vol. 226, 111651. DOI: 10.1016/j.corsci.2023.111651}} @misc{shen_nonlinear_proinflammatory_2024, author={Shen, F., Niu, M., Chen, H., Zhang, T., Li, J., Tong, H., Wu, Y.}, title={Nonlinear proinflammatory effect of short-term PM2.5 exposure: A potential role of lipopolysaccharide}, year={2024}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jes.2022.10.021}, abstract = {The association between PM2.5 (particulate matter ≤ 2.5 µm) short-term exposure and its health effect is non-linear from the epidemiological studies. And this nonlinearity is suggested to be related with the PM2.5 heterogeneity, however, the underlying biological mechanism is still unclear. Here, a total of 38 PM2.5 filters were collected continuously for three weeks in winter Beijing, with the ambient PM2.5 varying between 10 and 270 µg/m3. Human monocytes-derived macrophages (THP-1) were treated with PM2.5 water-soluble elutes at 10 µg/mL to investigate the PM2.5 short-term exposure effect from a proinflammatory perspective. The proinflammatory cytokine tumor necrosis factor (TNF) induced by the PM2.5 elutes at equal concentrations were unequal, showing the heterogeneity of PM2.5 proinflammatory potentials. Of the various chemical and biological components, lipopolysaccharide (LPS) showed a strong positive association with the TNF heterogeneity. However, some outliers were observed among the TNF-LPS association. Specifically, for PM2.5 from relatively clean air episodes, the higher LPS amount corresponded to relatively low TNF levels. And this phenomenon was also observed in the promotion tests by treating macrophages with PM2.5 elutes dosed with additional trace LPS. Gene expression analysis indicated the involvement of oxidative-stress related genes in the LPS signaling pathway. Therefore, a potential oxidative-stress-mediated suppression on the PM2.5-borne LPS proinflammatory effect was proposed to be accounted for the outliers. Overall, the results showed the differential role of LPS in the heterogeneity of PM2.5 proinflammatory effects from a component-based perspective. Future experimental studies are needed to elucidate the signaling pathway of LPS attached on PM2.5 from different air quality episodes.}, note = {Online available at: \url{https://doi.org/10.1016/j.jes.2022.10.021} (DOI). Shen, F.; Niu, M.; Chen, H.; Zhang, T.; Li, J.; Tong, H.; Wu, Y.: Nonlinear proinflammatory effect of short-term PM2.5 exposure: A potential role of lipopolysaccharide. Journal of Environmental Sciences. 2024. vol. 136, 292-300. DOI: 10.1016/j.jes.2022.10.021}} @misc{pacheco_understanding_the_2023, author={Pacheco, M., Aroso, I.M., Silva, J. M., Lamaka, S.V., Bohlen, J., Nienaber, M., Letzig, D., Lima, E., Barros, A.A., Reis, R.L.}, title={Understanding the corrosion of Mg alloys in in vitro urinary tract conditions: a step forward towards a biodegradable metallic ureteral stent}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2023.10.002}, abstract = {Ureteral stents play a fundamental role in modern time urology. However, following the deployment, stent-related symptoms are frequent and affect patient health and quality of life. Using biodegradable metals as ureteral stent materials have emerged as a promising strategy, mainly due to the improved radial force and slower degradation rate expected. Therefore, this study aimed to characterize different biodegradable metals in urinary tract environment to understand their propensity for future utilization as base materials for ureteral stents. The corrosion of 5 Mg alloys – AZ31, Mg-1Zn, Mg-1Y, pure Mg, and Mg-4Ag – under simulated urinary tract conditions was accessed. The corrosion layer of the different alloys presented common elements, such as Mg(OH)2, MgO, and phosphate-containing products, but slight variations in their chemical compositions were detected. The corrosion rate of the different metals varied, which was expected given the differences in the corrosion layers. On top of this, the findings of this study highlighted the significant differences in the samples' corrosion and corrosion layers when in stagnant and flowing conditions. With the results of this study, we concluded that Mg-1Zn and Mg-4Ag presented a higher propensity for localized corrosion, probably due to a less protective corrosion layer; Mg-4Ag corroded faster than all the other four alloys, and Mg-1Y stood out due to its distinct corrosion pattern, that showed to be more homogeneous than all the other four samples, making this one more attractive for the future studies on biodegradable metals.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2023.10.002} (DOI). Pacheco, M.; Aroso, I.; Silva, J.; Lamaka, S.; Bohlen, J.; Nienaber, M.; Letzig, D.; Lima, E.; Barros, A.; Reis, R.: Understanding the corrosion of Mg alloys in in vitro urinary tract conditions: a step forward towards a biodegradable metallic ureteral stent. Journal of Magnesium and Alloys. 2023. vol. 11, no. 11, 4301-4324. DOI: 10.1016/j.jma.2023.10.002}} @misc{chen_micronanocontainerbased_intelligent_2023, author={Chen, Z., Scharnagl, N., Zheludkevich, M., Ying, H., Yang, W.}, title={Micro/nanocontainer-based intelligent coatings: Synthesis, performance and applications – A review}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.cej.2022.138582}, abstract = {Metal corrosion causes huge economic losses, environmental pollution and industrial disasters. Application of smart self-healing coatings for the active corrosion protection of metal substrate has attracted substantial interest in recent years. The self-healing function can be achieved through either the intrinsic or extrinsic method. The intrinsic self-healing coatings mainly make use of the reversible physical and chemical interactions between molecules, whose self-healing effect is permanent. While the extrinsic method is mainly caused by embedding the micro/nanocontainers in the coatings, which can sense the micro-environmental changes and give rapid feedback to repair the micro cracked zones on the coating surface, the self-healing performance is temporary after the encapsulated active substances are fully consumed. Furthermore, inspired by these intelligent behaviors, more and more multi-functional coatings are designed and widely used in different fields. In this review, we summarized the research development of different stimuli-responsive self-healing coatings based on micro/nanocontainer techniques in recent years. Different types of micro/nanocontainers, as well as their synthesis or encapsulation technologies, are exampled to clarify the recent achievements. Meanwhile, the single stimulus-responsive systems are gradually evolved into the multi-stimulus-responsive system that endows the coatings with more sensitivity and intelligence. The stimuli-responsive self-healing coatings with different functions, such as self-reporting, anti-microbial, anti-fouling and self-lubrication functions, etc., are also explored, which enriches the application ranges of these smart coatings. This review investigated the research progress of the micro/nanocontainers-based self-healing coatings over the past few years and provided a unique insight into the future development of such smart coatings.}, note = {Online available at: \url{https://doi.org/10.1016/j.cej.2022.138582} (DOI). Chen, Z.; Scharnagl, N.; Zheludkevich, M.; Ying, H.; Yang, W.: Micro/nanocontainer-based intelligent coatings: Synthesis, performance and applications – A review. Chemical Engineering Journal. 2023. vol. 451, 138582. DOI: 10.1016/j.cej.2022.138582}} @misc{zhong_impact_of_2023, author={Zhong, S., Chen, S., Deng, J., Fan, Y., Zhang, Q., Xie, Q., Qi, Y., Hu, W., Wu, L., Li, X., Pavuluri, C. M., Zhu, J., Wang, X., Liu, D., Pan, X., Sun, Y., Wang, Z., Xu, Y., Tong, H., Su, H., Cheng, Y., Kawamura, K., Fu, P.}, title={Impact of biogenic secondary organic aerosol (SOA) loading on the molecular composition of wintertime PM2.5 in urban Tianjin: an insight from Fourier transform ion cyclotron resonance mass spectrometry}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.5194/acp-23-2061-2023}, abstract = {Biomass burning is one of the key sources of urban aerosols in the North China Plain, especially during winter, when the impact of secondary organic aerosols (SOAs) formed from biogenic volatile organic compounds (BVOCs) is generally considered to be minor. However, little is known about the influence of biogenic SOA loading on the molecular composition of wintertime organic aerosols. Here, we investigated the water-soluble organic compounds in fine particulate matter (PM2.5) from urban Tianjin by ultrahigh-resolution Fourier transform ion cyclotron resonanc mass spectrometry (FT-ICR MS). Our results show that most of the CHO and CHON compounds are derived from biomass burning which are poor in oxygen and contain aromatic rings that probably contribute to light-absorbing brown carbon (BrC) chromophores. Under moderate to high SOA-loading conditions, the nocturnal chemistry is more efficient than photooxidation to generate secondary CHO and CHON compounds with high oxygen content. Under low SOA loading, secondary CHO and CHON compounds with low oxygen content are mainly formed by photochemistry. Secondary CHO compounds are mainly derived from oxidation of monoterpenes. However, nocturnal chemistry may be more productive to sesquiterpene-derived CHON compounds. In contrast, the number- and intensity-weight of S-containing groups (CHOS and CHONS) increased significantly with the increase of biogenic SOA loading, which agrees with the fact that a majority of the S-containing groups are identified as organosulfates (OSs) and nitrooxy–organosulfates (nitrooxy–OSs) that are derived from the oxidation of BVOCs. Terpenes may be potential major contributors to organosulfates and nitrooxy–organosulfates. While the nocturnal chemistry is more beneficial to the formation of organosulfates and nitrooxy–organosulfates under low SOA loading. The SOA loading is an important factor that is associated with the oxidation degree, nitrate group content and chemodiversity of nitrooxy-organosulfates. Furthermore, our study suggests that the hydrolysis of nitrooxy-organosulfates is a possible pathway for the formation of organosulfates.}, note = {Online available at: \url{https://doi.org/10.5194/acp-23-2061-2023} (DOI). Zhong, S.; Chen, S.; Deng, J.; Fan, Y.; Zhang, Q.; Xie, Q.; Qi, Y.; Hu, W.; Wu, L.; Li, X.; Pavuluri, C.; Zhu, J.; Wang, X.; Liu, D.; Pan, X.; Sun, Y.; Wang, Z.; Xu, Y.; Tong, H.; Su, H.; Cheng, Y.; Kawamura, K.; Fu, P.: Impact of biogenic secondary organic aerosol (SOA) loading on the molecular composition of wintertime PM2.5 in urban Tianjin: an insight from Fourier transform ion cyclotron resonance mass spectrometry. Atmospheric Chemistry and Physics. 2023. vol. 23, no. 3, 2061-2077. DOI: 10.5194/acp-23-2061-2023}} @misc{daneshian_effect_of_2023, author={Daneshian, B., Höche, D., Knudsen, O., Skilbred, A.}, title={Effect of climatic parameters on marine atmospheric corrosion: correlation analysis of on-site sensors data}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-023-00329-6}, abstract = {A good understanding of influencing parameters is required to predict corrosivity in marine and coastal environments. This study investigated the influences of real-time data of (i) air temperature, (ii) sensor surface temperature, (iii) relative humidity, (iv) precipitation, and (v) wind on steel corrosion via data analysis. The results revealed that the time when the sensor surface temperature is below the dewpoint temperature reveals the best correlation with corrosion. Wind speed above 5 m s−1 also correlated with corrosion. At the test site, most of the corrosion occurred during autumn and winter, due to more water condensation and more wind. During spring and summer, there was little corrosion, due to little condensation and dry surfaces.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-023-00329-6} (DOI). Daneshian, B.; Höche, D.; Knudsen, O.; Skilbred, A.: Effect of climatic parameters on marine atmospheric corrosion: correlation analysis of on-site sensors data. npj Materials Degradation. 2023. vol. 7, 10. DOI: 10.1038/s41529-023-00329-6}} @misc{kim_fabrication_of_2023, author={Kim, H., Shin, S., Jung, D., Kim, J.}, title={Fabrication of Si/N-doped carbon nanotube composite via spray drying followed by catalytic chemical vapor deposition}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jallcom.2023.168743}, abstract = {Developing an effective structure for the silicon-carbon composite that promotes electric-ionic conductivity and reduces the volume change is a key issue for Si-based anode. In this study, spherical granules comprising silicon nanoparticles (Si-NPs) grafted with nitrogen-doped carbon nanotubes (Si-NCNTs) are fabricated via spray drying followed by catalytic chemical vapor deposition (CCVD). The initial discharge and charge capacities of the Si-NCNTs are 2457 and 1820 mA h g−1, respectively. The Si-NCNTs shows a capacity retention of 57% after 200 cycles as well as improved rate capability when compared to the Si-NPs and commercial CNTs composites (Si-CNTs) fabricated via spray drying alone. The Li+ ion-diffusion-coefficient (DLi+) of the Si-NCNTs is approximately ∼three times larger than that of the Si-CNTs at critical lithiation potential. The NCNTs that form the interconnections between Si-NPs play the role of electrically conductive buffers that could accommodate the volume change produced and favor Li+ ion transport.}, note = {Online available at: \url{https://doi.org/10.1016/j.jallcom.2023.168743} (DOI). Kim, H.; Shin, S.; Jung, D.; Kim, J.: Fabrication of Si/N-doped carbon nanotube composite via spray drying followed by catalytic chemical vapor deposition. Journal of Alloys and Compounds. 2023. vol. 939, 168743. DOI: 10.1016/j.jallcom.2023.168743}} @misc{deng_microalloyed_mgca_2023, author={Deng, M., Wang, L., Snihirova, D., Bohlen, J., Kurz, G., Lamaka, S.V., Höche, D., Zheludkevich, M.L.}, title={Micro-alloyed Mg-Ca: Corrosion susceptibility to heating history and a plain problem-solving approach}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2022.12.014}, abstract = {The exceptionally low corrosion rate (∼0.1 mm y–1 in concentrated NaCl solution for 7 days) enables lean Mg-Ca alloys great potential for diverse applications, particularly if relevant properties (e.g. mechanical strength, electrochemical performance, etc.) can be enhanced by thermomechanical processing. However, herein it is demonstrated that the corrosion performance of lean Mg-Ca is susceptible to the heating process. The corrosion rate of Mg-0.15 wt% Ca alloy is remarkably accelerated after annealing even for a short time (4 h at 400 °C) because Fe precipitation readily takes place. Fortunately, it is found that micro-alloying with dedicated additional elements is able to solve this problem. Nevertheless, the problem-solving capability is dependent on the element category, particularly the ability of the alloying element to constrain the Fe precipitation. Among the three studied elements (i.e. Sn, Ge and In), only In shows good competence of restricting the formation of Fe-containing precipitates, thereby contributing to retention of the superior corrosion resistance after annealing even at a rigorous condition (24 h at 450 °C). The finding creates good foundation for follow-up work of developing lean Mg-Ca-based alloys combining high corrosion resistance, superior electrochemical performance with excellent mechanical properties for applications as biodegradable implants and anode materials for aqueous batteries.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2022.12.014} (DOI). Deng, M.; Wang, L.; Snihirova, D.; Bohlen, J.; Kurz, G.; Lamaka, S.; Höche, D.; Zheludkevich, M.: Micro-alloyed Mg-Ca: Corrosion susceptibility to heating history and a plain problem-solving approach. Journal of Magnesium and Alloys. 2023. vol. 11, no. 4, 1193-1205. DOI: 10.1016/j.jma.2022.12.014}} @misc{razny_the_performance_2023, author={Razny, N., Dmitruk, A., Serdechnova, M., Blawert, C., Ludwiczak, J., Naplocha, K.}, title={The performance of thermally conductive tree-like cast aluminum structures in PCM-based storage units}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.icheatmasstransfer.2022.106606}, abstract = {The thermal performance of a latent heat storage unit was tested during cyclic operation, with LiNO3-KNO3-NaNO3 eutectic as the phase change material. The heat transfer was enhanced by the utilization of a tree-like aluminum structure, cast by means of two combined technologies: polymer 3D printing and investment casting. The mixture of salts was subjected to DSC analysis, to establish the thermal effects during heating and cooling. The unit was tested with and without the enhancer to determine the temperature response and distribution during working cycles (charging–discharging). The experimental outcomes were compared with the results of a numerical simulation performed using the Flow 3D program. To protect the metallic structures from the aggressively corrosive environment of molten salts, they were covered with plasma electrolytic oxidation (PEO) ceramic coatings. The influence of the coating on the heat transfer ability was also evaluated.}, note = {Online available at: \url{https://doi.org/10.1016/j.icheatmasstransfer.2022.106606} (DOI). Razny, N.; Dmitruk, A.; Serdechnova, M.; Blawert, C.; Ludwiczak, J.; Naplocha, K.: The performance of thermally conductive tree-like cast aluminum structures in PCM-based storage units. International Communications in Heat and Mass Transfer. 2023. vol. 142, 106606. DOI: 10.1016/j.icheatmasstransfer.2022.106606}} @misc{hche_corrosion_simulations_2023, author={Höche, D., Feiler, C.}, title={Corrosion Simulations for Automotive Applications : Korrosionssimulationen für automobile Anwendungen}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1007/s00501-022-01309-0}, abstract = {Digitisation is making huge progress, and it is not stopping at automotive corrosion either. Within the entire automotive material life cycle, computer-aided approaches can already assist corrosion engineering and management today. From constructive corrosion protection on galvanically active hybrid constructions to the virtual design of active or passive corrosion protection systems, everything is possible. We are already very close to the goal of a continuous and realisable digital corrosion twin, but the complete integration into existing value chains is far from complete. This article provides an insight into current research and development and discusses the bottlenecks that still exist. The role of data or data collection and the smart combination of data- and physics-based modelling approaches are discussed. The possibilities and scope of applications of artificial intelligence methods for automotive corrosion topics are addressed. Concrete application scenarios are outlined by using examples, and the next work steps are derived.}, note = {Online available at: \url{https://doi.org/10.1007/s00501-022-01309-0} (DOI). Höche, D.; Feiler, C.: Corrosion Simulations for Automotive Applications : Korrosionssimulationen für automobile Anwendungen. BHM Berg- und Hüttenmännische Monatshefte. 2023. vol. 168, no. 1, 3-7. DOI: 10.1007/s00501-022-01309-0}} @misc{baumann_is_the_2023, author={Baumann, K., Wietzoreck, M., Shahpoury, P., Filippi, A., Hildmann, S., Lelieveld, S., Berkemeier, T., Tong, H., Pöschl, U., Lammel, G.}, title={Is the oxidative potential of components of fine particulate matter surface-mediated?}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1007/s11356-022-24897-3}, abstract = {Redox-active substances in fine particulate matter (PM) contribute to inhalation health risks through their potential to generate reactive oxygen species in epithelial lung lining fluid (ELF). The ELF’s air–liquid interface (ALI) can play an important role in the phase transfer and multi-phase reactions of redox-active PM constituents. We investigated the influence of interfacial processes and properties by scrubbing of coated nano-particles with simulated ELF in a nebulizing mist chamber. Weakly water-soluble redox-active organics abundant in ambient fine PM were reproducibly loaded into ELF via ALI mixing. The resulting oxidative potential (OP) of selected quinones and other PAH derivatives were found to exceed the OP resulting from bulk mixing of the same amounts of redox-active substances and ELF. Our results indicate that the OP of PM components depends not only on the PM substance properties but also on the ELF interface properties and uptake mechanisms. OP measurements based on bulk mixing of phases may not represent the effective OP in the human lung.}, note = {Online available at: \url{https://doi.org/10.1007/s11356-022-24897-3} (DOI). Baumann, K.; Wietzoreck, M.; Shahpoury, P.; Filippi, A.; Hildmann, S.; Lelieveld, S.; Berkemeier, T.; Tong, H.; Pöschl, U.; Lammel, G.: Is the oxidative potential of components of fine particulate matter surface-mediated?. Environmental Science and Pollution Research. 2023. vol. 30, no. 6, 16749-16755. DOI: 10.1007/s11356-022-24897-3}} @misc{chen_double_stimuliresponsive_2023, author={Chen, Z., Li, X., Gong, B., Scharnagl, N., Zheludkevich, M.L., Ying, H., Yang, W.}, title={Double Stimuli-Responsive Conducting Polypyrrole Nanocapsules for Corrosion-Resistant Epoxy Coatings}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1021/acsami.2c17466}, abstract = {Stimuli-responsive nanocapsules, which can respond to various environmental stimuli and release their encapsulated payload on demand, have attracted wide interest in different fields in recent years. In this work, a novel kind of polypyrrole (PPy) nanocapsules is fabricated and loaded with zinc salt corrosion inhibitors. The synthesized PPy nanocapsules respond to two different external stimuli (pH- and redox-responsive) and can control the release of their encapsulated corrosion inhibitors. The nanocapsules can detect the micro-environmental pH or surface-potential changes associated with the corrosion initiation of the metal substrate. When introduced into a protective epoxy coating, the fabricated PPy nanocapsules inhibit the anodic and cathodic corrosion reactions. The superior corrosion resistance and active corrosion protection effects of the epoxy-PPy-Zn coatings are further demonstrated via electrochemical and long-term immersion tests. The low-frequency impedance, coating resistance, and oxide film resistance increase after about 400 h of exposure in a 3.5 wt % NaCl solution, reflecting the enhanced corrosion protection properties and excellent repairing performance of the coating. Furthermore, the epoxy-PPy-Zn coating can avoid the pitting corrosion of 304 stainless steel. Overall, we have fabricated double stimuli-responsive PPy nanocapsules via a simple and effective strategy and incorporated them into a corrosion-resistant epoxy coating for protecting Fe-based metal substrates.}, note = {Online available at: \url{https://doi.org/10.1021/acsami.2c17466} (DOI). Chen, Z.; Li, X.; Gong, B.; Scharnagl, N.; Zheludkevich, M.; Ying, H.; Yang, W.: Double Stimuli-Responsive Conducting Polypyrrole Nanocapsules for Corrosion-Resistant Epoxy Coatings. ACS Applied Materials and Interfaces. 2023. vol. 15, no. 1, 2067-2076. DOI: 10.1021/acsami.2c17466}} @misc{wang_high_temperature_2023, author={Wang, S., Wang, Y., Cao, G., Chen, C., Zhu, Y., Serdechnova, M., Blawert, C., Zheludkevich, M.L.., Zou, Y., Ouyang, J., Jia, D., Zhou, Y.}, title={High temperature oxidation and hot corrosion behaviors of PEO and PEO/polysilazane preceramic-based dual-layer coatings on Ti6Al4V alloy}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2023.111076}, abstract = {The high temperature oxidation and corrosion behaviors of a plasma electrolytic oxidation (PEO) coating and a PEO/polysilazane (PEO/PSZ) dual-layer coating are investigated. After exposure in NaCl+Na2SO4 salt at 600 ℃ for 240 h, PEO coating tends to generate porous and loose scales, causing cracking or even complete peeling off from the substrate, and corrosion scales follow the law of formation-shedding-reformulation. After exposure in NaCl+Na2SO4 salt at 600 ℃ for 480 h, the PEO/PSZ coating exhibits a three-layer structure including the outermost corroded layer with sandwich structures, uncorroded Al2O3 particles-containing interlayer, and PEO bottom layer, which retards the continuous penetration of corrosive media and further diffusion of oxygen to the inner bulk alloy, resulting in a remarkable reduction of oxidation and corrosion rate.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2023.111076} (DOI). Wang, S.; Wang, Y.; Cao, G.; Chen, C.; Zhu, Y.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.; Zou, Y.; Ouyang, J.; Jia, D.; Zhou, Y.: High temperature oxidation and hot corrosion behaviors of PEO and PEO/polysilazane preceramic-based dual-layer coatings on Ti6Al4V alloy. Corrosion Science. 2023. vol. 216, 111076. DOI: 10.1016/j.corsci.2023.111076}} @misc{kasneryk_ldh_has_2023, author={Kasneryk, V., Serdechnova, M., Blawert, C., Zheludkevich, M.L.}, title={LDH has been grown: What is next? Overview on methods of post-treatment of LDH conversion coatings}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.clay.2022.106774}, abstract = {Current implementation of Industry 4.0, the fourth stage of industrialisation, implies application of novel approaches for manufacturing oriented on strong personalisation and customisation of products. In this context, formation of active multifunctional surfaces with on demand tailored properties can be considered as a keystone in the area of materials production. Nowadays, active multifunctional surfaces based on layered double hydroxides (LDH) are in the focus of numerous studies. Such interest is related to ability of LDH act as active “nanocontainers”, i.e. to intercalate and release active species in controllable manner. Formation of LDH-based materials with diverse physical-chemical properties for various applications can be achieved through their adjustable post-treatment. This review presents the actual state-of-the-art of LDH post-treatments, including methods preserving the LDH structures such as modifications with polymers, hydrophobic molecules and intercalation of functional species into their galleries; as well as approaches resulting in host LDH layers rearrangement like thermal treatment and recrystallization of layered double hydroxides to metal organic frameworks (LDH-to-MOF).}, note = {Online available at: \url{https://doi.org/10.1016/j.clay.2022.106774} (DOI). Kasneryk, V.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.: LDH has been grown: What is next? Overview on methods of post-treatment of LDH conversion coatings. Applied Clay Science. 2023. vol. 232, 106774. DOI: 10.1016/j.clay.2022.106774}} @misc{li_incorporation_of_2023, author={Li, Y., Lu, X., Serdechnova, M., Blawert, C., Zheludkevich, M.L., Qian, K., Zhang, T., Wang, F.}, title={Incorporation of LDH nanocontainers into plasma electrolytic oxidation coatings on Mg alloy}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.07.015}, abstract = {In-situ incorporation of layered double hydroxides (LDH) nanocontainers into plasma electrolytic oxidation (PEO) coatings on AZ91 Mg alloy has been achieved in the present study. Fumarate was selected as Mg corrosion inhibitor for exchange and intercalation into the nanocontainers, which were subsequently incorporated into the coating. It was found that the thickness and compactness of the coatings were increased in the presence of LDH nanocontainers. The corrosion protection performance of the blank PEO, LDH containing PEO and inhibitor loaded coatings was evaluated by means of polarization test and electrochemical impedance spectroscopy (EIS). The degradation process and corrosion resistance of PEO coating were found to be greatly affected by the loaded inhibitor and nanocontainers by means of ion-exchange when corrosion occurs, leading to enhanced and stable corrosion resistance of the substrate.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.07.015} (DOI). Li, Y.; Lu, X.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.; Qian, K.; Zhang, T.; Wang, F.: Incorporation of LDH nanocontainers into plasma electrolytic oxidation coatings on Mg alloy. Journal of Magnesium and Alloys. 2023. vol. 11, no. 4, 1236-1246. DOI: 10.1016/j.jma.2021.07.015}} @misc{zhang_insitu_ldhs_2023, author={Zhang, G., Wu, L., Serdechnova, M., Tang, A., Wang, C., Blawert, C., Pan, F., Zheludkevich, M.}, title={In-situ LDHs growth on PEO coatings on AZ31 magnesium alloy for active protection: Roles of PEO composition and conversion solution}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.09.001}, abstract = {In this work, plasma electrolytic oxidation (PEO) coatings were produced on magnesium alloy AZ31 in aluminate, silicate and phosphate- based electrolytes, and followed by hydrothermal treatments in order to synthesis layered double hydroxides (LDHs) based nanocontainers. LDHs synthesis was done in three different growth solutions (deionized water, sodium nitrate and aluminum nitrate containing solution). In frame of this work it was shown, that it was difficult to form LDHs on Si-based PEO coating, due to more stable silicate phases in comparison with aluminate and phosphate phases in respective PEO coatings. The obtained hybrid LDH/PEO coatings were characterized using SEM, EDS and GDOES, and then the corrosion protection was further investigated by EIS. Based on the obtained results, it was confirmed that, the hydrothermal treatments in Al3+}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.09.001} (DOI). Zhang, G.; Wu, L.; Serdechnova, M.; Tang, A.; Wang, C.; Blawert, C.; Pan, F.; Zheludkevich, M.: In-situ LDHs growth on PEO coatings on AZ31 magnesium alloy for active protection: Roles of PEO composition and conversion solution. Journal of Magnesium and Alloys. 2023. vol. 11, no. 7, 2376-2391. DOI: 10.1016/j.jma.2021.09.001}} @misc{wang_exploring_the_2023, author={Wang, W., Xu, W., Höche, D., Lamaka, S., Zheludkevich, M.}, title={Exploring the contribution of oxygen reduction reaction to Mg corrosion by modeling assisted local analysis}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2022.09.031}, abstract = {Oxygen reduction reaction (ORR) has been disclosed in recent studies as a significant secondary cathodic process during magnesium corrosion. This work elaborates on the contribution of ORR to the total corrosion process of pure Mg at different impurity levels in NaCl electrolyte with the assistance of local techniques. A finite element based numerical model taking into account the contribution of ORR during the corrosion of the Mg test materials has been designed in this study considering the local oxygen concentration. Respective computational simulations were calibrated based on the experimental data and evaluated accordingly. Finally, the simultaneous monitoring of local concentration of H2 and O2, and the combined modeling study reveal the relation between ORR and hydrogen evolution reaction.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2022.09.031} (DOI). Wang, W.; Xu, W.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Exploring the contribution of oxygen reduction reaction to Mg corrosion by modeling assisted local analysis. Journal of Magnesium and Alloys. 2023. vol. 11, no. 1, 100-109. DOI: 10.1016/j.jma.2022.09.031}} @misc{desousasantos_is_crosslinked_2023, author={de Sousa Santos, F., Spinelli, A., Scharnagl, N., da Conceiçao, T.}, title={Is crosslinked pectin a suitable material for efficient corrosion protective coatings? A study with AZ31 Mg alloy}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.porgcoat.2022.107274}, abstract = {In this study, coatings of pectin crosslinked with Ba2+ or Ca2+ions were prepared on sheets of AZ31 magnesium alloy, and their properties were investigated by means of infrared spectroscopy, electronic microscopy, energy dispersive spectroscopy, contact angle measurements and swelling essays. The corrosion behavior of the coated samples was characterized by means of electrochemical impedance spectroscopy. The prepared coatings were dense, with a thickness of ca. 13 μm and reached initial impedances in the order of 105 Ω cm2. Additionally, it is demonstrated that coatings crosslinked with Ba2+present lower swelling and better corrosion protection in the first days of exposure to the corrosive solution. All these results indicate that pectin is a suitable polymer for the preparation of efficient, sustainable and biodegradable coatings for Mg alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.porgcoat.2022.107274} (DOI). de Sousa Santos, F.; Spinelli, A.; Scharnagl, N.; da Conceiçao, T.: Is crosslinked pectin a suitable material for efficient corrosion protective coatings? A study with AZ31 Mg alloy. Progress in Organic Coatings. 2023. vol. 174, 107274. DOI: 10.1016/j.porgcoat.2022.107274}} @misc{burmeister_zwitterionic_surface_2023, author={Burmeister, N., Vollstedt, C., Kröger, C., Friedrich, T., Scharnagl, N., Rohnke, M., Zorn, E., Wicha, S.G., Streit, W.R., Maison, W.}, title={Zwitterionic surface modification of polyethylene via atmospheric plasma-induced polymerization of (vinylbenzyl-)sulfobetaine and evaluation of antifouling properties}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.colsurfb.2023.113195}, abstract = {Zwitterionic polymer brushes were grafted from bulk polyethylene (PE) by air plasma activation of the PE surface followed by radical polymerization of the zwitterionic styrene derivative (vinylbenzyl)sulfobetaine (VBSB). Successful formation of dense poly-(VBSB)-brush layers was confirmed by goniometry, IR spectroscopy, XPS and ToF-SIMS analysis. The resulting zwitterionic layers are about 50–100 nm thick and cause extremely low contact angles of 10° (water) on the material. Correspondingly we determined a high density of > 1.0 × 1016 solvent accessible zwitterions/cm2 (corresponding to 2,0 *10-8 mol/cm2) by a UV-based ion-exchange assay with crystal violet. The elemental composition as determined by XPS and characteristic absorption bands in the IR spectra confirmed the presence of zwitterionic sulfobetaine polymer brushes. The antifouling properties of the resulting materials were evaluated in a bacterial adhesion test against gram-positive bacteria (S. aureus). We observed significantly reduced cellular adhesion of the zwitterionic material compared to pristine PE. These microbiological tests were complemented by tests in natural seawater. During a test period of 21 days, confocal microscopy revealed excellent antifouling properties and confirmed the operating antifouling mechanism. The procedure reported herein allows the efficient surface modification of bulk PE with zwitterionic sulfobetaine polymer brushes via a scalable approach. The resulting modified PE retains important properties of the bulk material and has excellent and durable antifouling properties.}, note = {Online available at: \url{https://doi.org/10.1016/j.colsurfb.2023.113195} (DOI). Burmeister, N.; Vollstedt, C.; Kröger, C.; Friedrich, T.; Scharnagl, N.; Rohnke, M.; Zorn, E.; Wicha, S.; Streit, W.; Maison, W.: Zwitterionic surface modification of polyethylene via atmospheric plasma-induced polymerization of (vinylbenzyl-)sulfobetaine and evaluation of antifouling properties. Colloids and Surfaces B. 2023. vol. 224, 113195. DOI: 10.1016/j.colsurfb.2023.113195}} @misc{shulha_corrosion_inhibitors_2023, author={Shulha, T., Serdechnova, M., Lamaka, S.V., Lu, X., Feiler, C., Blawert, C., Zheludkevich, M.L.}, title={Corrosion Inhibitors Intercalated into Layered Double Hydroxides Prepared In Situ on AZ91 Magnesium Alloys: Structure and Protection Ability}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1021/acsami.2c18675}, abstract = {This work first describes the intercalation of corrosion inhibitors into layered double hydroxides LDH-OH/CO3 nanocontainers (parental LDH) obtained in situ on the surface of magnesium alloy AZ91 in the presence of a chelating agent. Vanadate, as a typical broad inhibitor for active metals, and oxalate, as an inhibitor suitable for magnesium, were selected as a first approach. The optimization of exchange conditions was performed, and the optimal parameters (ambient pressure and 95 °C) were selected. The corrosion protective properties of obtained LDH-based layers were studied using immersion and salt spray tests in NaCl solution, supported by electrochemical impedance spectroscopy and atomic emission spectroelectrochemistry. It is demonstrated that vanadate intercalated into LDH is more effective for the active protection of AZ91 in comparison to the performance of oxalate. A possible mechanism of corrosion inhibition based on the application of LDH nanocontainers is suggested and discussed.}, note = {Online available at: \url{https://doi.org/10.1021/acsami.2c18675} (DOI). Shulha, T.; Serdechnova, M.; Lamaka, S.; Lu, X.; Feiler, C.; Blawert, C.; Zheludkevich, M.: Corrosion Inhibitors Intercalated into Layered Double Hydroxides Prepared In Situ on AZ91 Magnesium Alloys: Structure and Protection Ability. ACS Applied Materials and Interfaces. 2023. vol. 15, no. 4, 6098-6112. DOI: 10.1021/acsami.2c18675}} @misc{kandekar_a_partitioned_2023, author={Kandekar, C., Ravikumar, A., Höche, D., Weber, W.E.}, title={A partitioned computational framework for damage evolution in stress corrosion cracking utilizing phase-field}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1002/pamm.202200211}, abstract = {Dissolution-driven stress corrosion cracking is a complicated multi-physics phenomenon consisting of coupling between mechanical stress and corrosion. In this coupled electro-chemo-mechanical problem, the combined effects of mechanical field, localised corrosion and the microstructure with the effects of grain boundaries are investigated. Therein, corrosion kinetics are accelerated by mechanical straining and also affected by the different material properties along the grain boundaries. A phase-field modelling approach, a method for regularizing sharp interfaces with smooth gradients, is utilized to describe the metal-electrolyte interface during localized metal dissolution. The current contribution presents a partitioned computational framework, as an extension of recently published works for solving pitting corrosion and stress corrosion cracking at the micro-scale. In this extension, mechanically assisted corrosion is coupled bi-directionally and solved on two software instances facilitating simulation at different time scales, using an open-source coupling software. The performance of the proposed computational framework is demonstrated through various deterioration model system situations in 2D.}, note = {Online available at: \url{https://doi.org/10.1002/pamm.202200211} (DOI). Kandekar, C.; Ravikumar, A.; Höche, D.; Weber, W.: A partitioned computational framework for damage evolution in stress corrosion cracking utilizing phase-field. PAMM: Proceedings in Applied Mathematics and Mechanics. 2023. vol. 22, no. 1, e202200211. DOI: 10.1002/pamm.202200211}} @misc{schiessler_searching_the_2023, author={Schiessler, E.J., Würger, T., Vaghefinazari, B., Lamaka, S.V., Meißner, R.H., Cyron, C.J., Zheludkevich, M.L., Feiler, C., Aydin, R.C.}, title={Searching the Chemical Space for Effective Magnesium Dissolution Modulators: A Deep Learning Approach using Sparse Features}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-023-00391-0}, abstract = {Small organic molecules can alter the degradation rates of the magnesium alloy ZE41. However, identifying suitable candidate compounds from the vast chemical space requires sophisticated tools. The information contained in only a few molecular descriptors derived from recursive feature elimination was previously shown to hold the potential for determining such candidates using deep neural networks. We evaluate the capability of these networks to generalise by blind testing them on 15 randomly selected, completely unseen compounds. We find that their generalisation ability is still somewhat limited, most likely due to the relatively small amount of available training data. However, we demonstrate that our approach is scalable; meaning deficiencies caused by data limitations can presumably be overcome as the data availability increases. Finally, we illustrate the influence and importance of well-chosen descriptors towards the predictive power of deep neural networks.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-023-00391-0} (DOI). Schiessler, E.; Würger, T.; Vaghefinazari, B.; Lamaka, S.; Meißner, R.; Cyron, C.; Zheludkevich, M.; Feiler, C.; Aydin, R.: Searching the Chemical Space for Effective Magnesium Dissolution Modulators: A Deep Learning Approach using Sparse Features. npj Materials Degradation. 2023. vol. 7, 74. DOI: 10.1038/s41529-023-00391-0}} @misc{moreno_ciprofloxacin_release_2023, author={Moreno, L., Wang, C., Lamaka, S.V., Zheludkevich, M.L., Rodríguez-Hernández, J., Arrabal, R., Matykina, E.}, title={Ciprofloxacin Release and Corrosion Behaviour of a Hybrid PEO/PCL Coating on Mg3Zn0.4Ca Alloy}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.3390/jfb14020065}, abstract = {In the present work, a hybrid hierarchical coating (HHC) system comprising a plasma electrolytic oxidation (PEO) coating and a homogeneously porous structured polycaprolactone (PCL) top-coat layer, loaded with ciprofloxacin (CIP), was developed on Mg3Zn0.4Ca alloy. According to the findings, the HHC system avoided burst release and ensured gradual drug elution (64% over 240 h). The multi-level protection of the magnesium alloy is achieved through sealing of the PEO coating pores by the polymer layer and the inhibiting effect of CIP (up to 74%). The corrosion inhibition effect of HHC and the eluted drug is associated with the formation of insoluble CIP-Me (Mg/Ca) chelates that repair the defects in the HHC and impede the access of corrosive species as corroborated by FTIR spectra, EIS and SEM images after 24 h of immersion. Therefore, CIP participates in an active protection mechanism by interacting with cations coming through the damaged coating.}, note = {Online available at: \url{https://doi.org/10.3390/jfb14020065} (DOI). Moreno, L.; Wang, C.; Lamaka, S.; Zheludkevich, M.; Rodríguez-Hernández, J.; Arrabal, R.; Matykina, E.: Ciprofloxacin Release and Corrosion Behaviour of a Hybrid PEO/PCL Coating on Mg3Zn0.4Ca Alloy. Journal of Functional Biomaterials. 2023. vol. 14, no. 2, 65. DOI: 10.3390/jfb14020065}} @misc{wei_in_situ_2023, author={Wei, K., Wei, Y., Zhang, Y., Kasneryk, V., Serdechnova, M., Wang, H., Zhang, Z., Yuan, Y., Blawert, C., Zheludkevich, M.L., Chen, F.}, title={In Situ Synthesis of ZIF-8 Loaded with 8-hydroxyquinoline Composite via a Host-Guest Nanoconfinement Strategy for High-Performance Corrosion Protection}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2023.111731}, abstract = {A strategy based on in situ host-guest nanoconfinement was used to assist the synthesis of a ZIF-8 host loaded with a corrosion inhibitor 8-hydroxyquinoline (8-HQ) guest by a facile one-step process at room temperature. Results showed that a Zn-(bis-8-hydroxyquinoline) guest encapsulated ZIF-8 host composite (Q@ZIF-8) was formed. The Q@ZIF-8 proves to have an inhibition efficiency of over 91% to protect the aluminum alloy substrate against corrosion in the corrosive solution after 2 days. Additionally, the pH-responsive Q@ZIF-8 can release 8-HQ species in form of hydroxyquinoline zinc complex and improves the corrosion resistance of the epoxy coating.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2023.111731} (DOI). Wei, K.; Wei, Y.; Zhang, Y.; Kasneryk, V.; Serdechnova, M.; Wang, H.; Zhang, Z.; Yuan, Y.; Blawert, C.; Zheludkevich, M.; Chen, F.: In Situ Synthesis of ZIF-8 Loaded with 8-hydroxyquinoline Composite via a Host-Guest Nanoconfinement Strategy for High-Performance Corrosion Protection. Corrosion Science. 2023. vol. 227, 111731. DOI: 10.1016/j.corsci.2023.111731}} @misc{benseghier_an_intelligent_2023, author={Ben Seghier, M.E.A., Knudsen, O.O., Skilbred, A.W.B., Höche, D.}, title={An intelligent framework for forecasting and investigating corrosion in marine conditions using time sensor data}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-023-00404-y}, abstract = {Corrosion of marine steel structures can be regarded as a time-dependent process that might result in critical strength loss and, eventually, failures. The availability of reliable forecasting models for corrosion would be useful, enabling intelligent maintenance program management, and increasing marine structure safety, while lowering in-service expenses. In this study, an intelligent framework based on a data-driven model is developed that employs a group method of data handling (GMDH) type neural network to forecast free atmospheric corrosion as time-series problem. Therefore, data from sensor data with a 30-min interval over a 110 day period that includes free atmospheric corrosion as well as environmental factors are used. In addition, the Shapley additive explanations (SHAP) technique is used to investigate the impact of the surrounding environmental factors on free atmospheric corrosion. For the performance evaluation of the proposed intelligent framework, selected comparative metrics are used. Findings demonstrate the high accuracy and efficiency of the time series data-driven framework for tackling free atmospheric corrosion progression in marine environments.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-023-00404-y} (DOI). Ben Seghier, M.; Knudsen, O.; Skilbred, A.; Höche, D.: An intelligent framework for forecasting and investigating corrosion in marine conditions using time sensor data. npj Materials Degradation. 2023. vol. 7, 91. DOI: 10.1038/s41529-023-00404-y}} @misc{nie_a_model_2023, author={Nie, Y., Liu, Y., Xu, X., Wang, W., Scharnagl, N., Heuchel, M., Lendlein, A., Ma, N.}, title={A model of using the asymmetric polydopamine thin film for mimicking epithelial folding in vitro}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1002/admi.202202509}, abstract = {The basement membrane (BM) is a biointeractive ultrathin network with distinct composition and organization of its epithelial and stromal sides, which render BMs with asymmetric biofunctions and mechanical properties. There are difficulties in the recapitulation of the highly hierarchical structure and function of BM. Here, the interfacial assembly method for the generation of BM mimics is applied. Dopamine is the starting material for the polymerization and assembly of polydopamine (PDA) into asymmetric materials. Compared to the PDA coating formed at the solid/liquid interface (≈20 nm), the PDA film formed at the air/liquid interface displays a thickness of ≈100 nm. Moreover, it possesses an asymmetric surface topography and an apparent Young's modulus of ≈1.0 MPa, which is structurally and mechanically similar to natural BMs. Of interest, the airside and the waterside of the PDA film exhibit differences in their adhesion affinity to the human skin keratinocytes. With stronger active mechanical processes between living cells and the waterside of PDA film, epithelial folding could be mimicked. Together, the PDA film is able to recapitulate the structural and mechanical complexity of natural BMs, indicating the prospective future of using PDA films for in vitro modeling cell-BM interaction and tissue formation.}, note = {Online available at: \url{https://doi.org/10.1002/admi.202202509} (DOI). Nie, Y.; Liu, Y.; Xu, X.; Wang, W.; Scharnagl, N.; Heuchel, M.; Lendlein, A.; Ma, N.: A model of using the asymmetric polydopamine thin film for mimicking epithelial folding in vitro. Advanced Materials Interfaces. 2023. vol. 10, no. 18, 2202509. DOI: 10.1002/admi.202202509}} @misc{kotobi_integrating_explainability_2023, author={Kotobi, A., Singh, K., Höche, D., Bari, S., Meissner, R.H., Bande, A.}, title={Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1021/jacs.3c07513}, abstract = {The use of sophisticated machine learning (ML) models, such as graph neural networks (GNNs), to predict complex molecular properties or all kinds of spectra has grown rapidly. However, ensuring the interpretability of these models’ predictions remains a challenge. For example, a rigorous understanding of the predicted X-ray absorption spectrum (XAS) generated by such ML models requires an in-depth investigation of the respective black-box ML model used. Here, this is done for different GNNs based on a comprehensive, custom-generated XAS data set for small organic molecules. We show that a thorough analysis of the different ML models with respect to the local and global environments considered in each ML model is essential for the selection of an appropriate ML model that allows a robust XAS prediction. Moreover, we employ feature attribution to determine the respective contributions of various atoms in the molecules to the peaks observed in the XAS spectrum. By comparing this peak assignment to the core and virtual orbitals from the quantum chemical calculations underlying our data set, we demonstrate that it is possible to relate the atomic contributions via these orbitals to the XAS spectrum.}, note = {Online available at: \url{https://doi.org/10.1021/jacs.3c07513} (DOI). Kotobi, A.; Singh, K.; Höche, D.; Bari, S.; Meissner, R.; Bande, A.: Integrating Explainability into Graph Neural Network Models for the Prediction of X-ray Absorption Spectra. Journal of the American Chemical Society. 2023. vol. 145, no. 41, 22584–22598. DOI: 10.1021/jacs.3c07513}} @misc{ravikumar_exploring_the_2023, author={Ravikumar, A., Höche, D., Feiler, C., Lekka, M., Salicio-Paz, A., Rohwerder, M., Prabhakar, M.J, Zheludkevich, M.L.}, title={Exploring the effect of microstructure and surface recombination on hydrogen effusion in Zn-Ni coated martensitic steels by advanced computational modeling}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1002/srin.202300353}, abstract = {Ultrahigh-strength steel (UHSS) structures are plated with Zn–Ni coatings because of their excellent corrosion resistance properties, but the plating process is accompanied by the production of hydrogen. The presence of hydrogen in steel results in hydrogen embrittlement. Hence, during the production of UHSS parts, dedicated outgassing steps are employed to remove the diffusible hydrogen from the steel. In a production environment, the real effect of the outgassing process and the outgassing efficiency is unknown for parts coated with Zn–Ni. Hence, a finite element model is developed to capture the evolution of the hydrogen concentration profile in coated UHSS parts during outgassing to study the influence of coating morphology and microstructural features of steel. In order to develop the geometry of the model, scanning electron microscope images are analyzed to understand the microstructure and morphology of the coating. Numerical samples are generated by combining different coating morphologies with steel substrates of varying microstructural features to attain a series of samples with varying features. The results of the outgassing simulations clearly demonstrate the major role of the coating morphology on the hydrogen flux.}, note = {Online available at: \url{https://doi.org/10.1002/srin.202300353} (DOI). Ravikumar, A.; Höche, D.; Feiler, C.; Lekka, M.; Salicio-Paz, A.; Rohwerder, M.; Prabhakar, M.; Zheludkevich, M.: Exploring the effect of microstructure and surface recombination on hydrogen effusion in Zn-Ni coated martensitic steels by advanced computational modeling. Steel Research International. 2023. 2300353. DOI: 10.1002/srin.202300353}} @misc{burmeister_surface_grafted_2023, author={Burmeister, N., Zorn, E., Farooq, A., Preuss, L., Vollstedt, C., Friedrich, T., Mantel, T., Scharnagl, N., Rohnke, M., Ernst, M., Wicha, S.G., Streit, W.R., Maison, W.}, title={Surface Grafted N-Oxides have Low-Fouling and Antibacterial Properties}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/DOI:10.1002/admi.202300505}, abstract = {Low-fouling materials are often generated by surface zwitterionization with polymers. In this context, poly-N-oxides have recently attracted considerable attention as biomimetic stealth coatings with low protein adsorption. Herein, this study reports that poly-N-oxides can be grafted from plasma-activated plastic base materials. The resulting hydrophilic surfaces have low-fouling properties in bacterial suspensions and suppress the formation of biofilms. Moreover, efficient antibacterial activity against Gram-negative and Gram-positive bacteria caused by release of reactive oxygen species is observed. The latter effect is specific for polymeric N-oxides and is most likely triggered by a reductive activation of the N-oxide functionality in the presence of bacteria. In contrast to other zwitterionic polymers, N-oxides combine thus low-fouling (stealth) properties with antibacterial activity. The bioactive N-oxide groups can be regenerated after use by common oxidative disinfectants. Poly-N-oxides are thus attractive antibacterial coatings for many base materials with a unique combined mechanism of action.}, note = {Online available at: \url{https://doi.org/DOI:10.1002/admi.202300505} (DOI). Burmeister, N.; Zorn, E.; Farooq, A.; Preuss, L.; Vollstedt, C.; Friedrich, T.; Mantel, T.; Scharnagl, N.; Rohnke, M.; Ernst, M.; Wicha, S.; Streit, W.; Maison, W.: Surface Grafted N-Oxides have Low-Fouling and Antibacterial Properties. Advanced Materials Interfaces. 2023. 2300505. DOI: DOI:10.1002/admi.202300505}} @misc{kasneryk_controllable_recrystallization_2023, author={Kasneryk, V., Wu, T., Rohr, H., Serdechnova, M., Mojsilovi , K., Wieland, F.D.C., Davydok, A., Gazenbiller, E., Vasili , R., Blawert, C., Stock, N., Zheludkevich, M.L.}, title={Controllable recrystallization of ZnO/ZnAl2O4 based PEO into ZIF-8 as a route for the formation of multifunctional coatings}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jiec.2023.11.033}, abstract = {Nowadays, plasma electrolytic oxidation (PEO) has become widespread as an effective method for preparation of multifunctional coatings. However, the PEO coatings have numerous pores. On the one hand, their presence restricts their broad application; on the other hand, they represent an excellent platform for post-sealing allowing creating coatings with peculiar properties. In the current work, the possibility of controllable recrystallization of ZnO/ZnAl2O4 based PEO preformed on Zn Z1 alloy into ZIF-8@PEO composite coating was demonstrated for the first time. It was found that the corrosion protection, photocatalytic and photoluminescence properties of the final coatings can be modified by varying the conditions of the post-modification process, which include the amount of the organic linker (2-methylimidazole) and treatment time. This study opens an innovative approach for the formation of multifunctional coatings.}, note = {Online available at: \url{https://doi.org/10.1016/j.jiec.2023.11.033} (DOI). Kasneryk, V.; Wu, T.; Rohr, H.; Serdechnova, M.; Mojsilovi, K.; Wieland, F.; Davydok, A.; Gazenbiller, E.; Vasili, R.; Blawert, C.; Stock, N.; Zheludkevich, M.: Controllable recrystallization of ZnO/ZnAl2O4 based PEO into ZIF-8 as a route for the formation of multifunctional coatings. Journal of Industrial and Engineering Chemistry. 2023. DOI: 10.1016/j.jiec.2023.11.033}} @misc{wang_nonstationarity_in_2023, author={Wang, L., Snihirova, D., Havigh, M.D., Deng, M., Lamaka, S.V., Terryn, H., Zheludkevich, M.L.}, title={Non-stationarity in electrochemical impedance measurement of Mg-based materials in aqueous media}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.electacta.2023.143140}, abstract = {For most bare Mg-based materials in aqueous media, an inductive behavior can be detected at the low frequencies electrochemical impedance spectroscopy (LF-EIS) measurement, which potentially can be associated with the non-stationarity of the system. The non-stationarity in EIS measurement leads to inaccurate acquisition of experimental data and, thus, misunderstanding of the electrochemical behavior of tested samples. To investigate the non-stationarity of EIS measurements on Mg-based materials in aqueous media, conventional EIS measurements are performed on pure Mg and several representative Mg alloys (AZ31, AZ91, AM50) in NaCl and Na2SO4 solutions. The results indicate that the impedance spectra of Mg-based materials in aqueous media is influenced by the internal non-stationarity of the Mg-electrolyte system and the external non-stationarity induced by EIS measurement. Multisine odd random phase EIS (ORP-EIS) measurements were performed to visualize the non-stationarity and non-linearity of the system. Moreover, the comparison of conventional and ORP-EIS results exhibits the difference between pseudo and real inductive behavior for the AZ31-NaCl system. Accordingly, the origin of the inductive behavior of Mg-based materials is discussed.}, note = {Online available at: \url{https://doi.org/10.1016/j.electacta.2023.143140} (DOI). Wang, L.; Snihirova, D.; Havigh, M.; Deng, M.; Lamaka, S.; Terryn, H.; Zheludkevich, M.: Non-stationarity in electrochemical impedance measurement of Mg-based materials in aqueous media. Electrochimica Acta. 2023. vol. 468, 143140. DOI: 10.1016/j.electacta.2023.143140}} @misc{liu_large_differences_2023, author={Liu, D., Zhang, Y., Zhong, S., Chen, S., Xie, Q., Zhang, D., Zhang, Q., Hu, W., Deng, J., Wu, L., Ma, C., Tong, H., Fu, P.}, title={Large differences of highly oxygenated organic molecules (HOMs) and low volatile species in secondary organic aerosols (SOAs) formed from ozonolysis of β-pinene and limonene}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.5194/acp-23-8383-2023}, abstract = {Secondary organic aerosols (SOAs) play a key role in climate change and public health. However, the oxidation state and volatility of SOAs are still not well understood. Here, we investigated the highly oxygenated organic molecules (HOMs) in SOAs formed from ozonolysis of β-pinene and limonene. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterize HOMs in aerosol filter samples, and a scanning mobility particle sizer (SMPS) was used to measure the concentration and size distribution of SOA particles. The relative abundance of HOMs (i.e., ratio of summed mass spectrometry peak intensity of HOMs to totally identified organic compounds) in limonene SOA was 14 %–20 %, higher than in β-pinene SOA (3 %–13 %), exhibiting different trends with increasing ozone concentrations. β-pinene oxidation-derived HOMs exhibit higher yield at high ozone concentration, accompanied by substantial formation of ultra-low-volatile organic compounds (ULVOCs). Limonene oxidation-derived HOMs exhibit higher yield at moderate ozone concentrations, with semi-, low-, and extremely low-volatile organic compounds (SVOCs, LOVCs, and ELVOCs) play a major role. Combined experimental evidence and theoretical analysis indicate that oxygen-increasing-based peroxy radical chemistry is a plausible mechanism for the formation of oxygenated organic compounds with 10 carbon atoms. Our findings show that HOMs and low-volatile species in β-pinene and limonene SOA are largely different. The ozone concentration-driven SOA formation and evolution mechanism for monoterpenes is suggested to be considered in future climate or exposure risk models, which may enable more accurate air quality prediction and management.}, note = {Online available at: \url{https://doi.org/10.5194/acp-23-8383-2023} (DOI). Liu, D.; Zhang, Y.; Zhong, S.; Chen, S.; Xie, Q.; Zhang, D.; Zhang, Q.; Hu, W.; Deng, J.; Wu, L.; Ma, C.; Tong, H.; Fu, P.: Large differences of highly oxygenated organic molecules (HOMs) and low volatile species in secondary organic aerosols (SOAs) formed from ozonolysis of β-pinene and limonene. Atmospheric Chemistry and Physics. 2023. vol. 23, no. 14, 8383–8402. DOI: 10.5194/acp-23-8383-2023}} @misc{beraldo_phosphorylated_pva_2023, author={Beraldo, C.H.M., Spinelli, A., Scharnagl, N., da Conceição, T.F.}, title={Phosphorylated PVA coatings for corrosion protection of Mg AZ31 alloy}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1007/s11998-023-00813-3}, abstract = {In this paper, the influence of different amounts of phosphoric acid on the protective properties of phosphorylated PVA (PPVA) coatings on a Mg AZ31 alloy is investigated. PPVA coatings and free-standing films were prepared by dip-coating and casting, respectively, and characterized by scanning electron microscopy, Fourier transform infrared spectroscopy and swelling assays. The anticorrosion properties of the coatings were investigated by electrochemical impedance spectroscopy and potentiodynamic polarization, both in 3.5 wt% NaCl solution. The results show that |Z| values increase with the amount of H3PO4, reaching values on the order of 105 Ω cm2 for the coating with the highest amount of H3PO4 (0.100 PPVA). Additionally, this sample shows the lowest swelling degree (around 80%). Polarization tests demonstrate that all coatings significantly decrease jcorr (from 4.8 μA cm−2 to values around 0.3 μA cm−2) by means of a cathodic inhibition. These results make of PPVA coatings interesting water-based alternatives to polysaccharide coatings.}, note = {Online available at: \url{https://doi.org/10.1007/s11998-023-00813-3} (DOI). Beraldo, C.; Spinelli, A.; Scharnagl, N.; da Conceição, T.: Phosphorylated PVA coatings for corrosion protection of Mg AZ31 alloy. Journal of Coatings Technology and Research. 2023. DOI: 10.1007/s11998-023-00813-3}} @misc{zorn_contactbiocide_tio2_2023, author={Zorn, E., Knaack, J.I.H., Burmeister, N., Scharnagl, N., Rohnke, M., Wicha, S.G., Maison, W.}, title={Contact-Biocide TiO2 Surfaces by Surface-Initiated Atom Transfer Radical Polymerization with Chemically Stable Phosphonate Initiators}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/doi.org/10.1021/acs.langmuir.3c01366}, abstract = {Surface-initiated atom transfer radical polymerization (SI-ATRP) is a powerful tool for grafting functional polymers from metal surfaces. It depends on the immobilization of suitable initiators on the surface before radical polymerization. Herein, we report a set of bifunctional initiators bearing a phosphonic acid group for surface binding and a bromoisobutyramide moiety for SI-ATRP. We have analyzed the impact of the connecting alkyl spacers on the grafting process of (vinylbenzyl)trimethylammonium chloride (VBTAC) from titanium as a base material. The thickness of the grafted polymer increased with the spacer length of the initiator. We obtained chemically stable polycationic surfaces with high charge densities of ∼1016 N+/cm2 leading to efficient contact activity of modified titanium coupons against S. aureus. Notably, SI-ATRP grafting was efficient with VBTAC as a styrene-derived ammonium compound. Thus, the reported protocol avoids post-grafting quaternization with toxic alkylating reagents.}, note = {Online available at: \url{https://doi.org/doi.org/10.1021/acs.langmuir.3c01366} (DOI). Zorn, E.; Knaack, J.; Burmeister, N.; Scharnagl, N.; Rohnke, M.; Wicha, S.; Maison, W.: Contact-Biocide TiO2 Surfaces by Surface-Initiated Atom Transfer Radical Polymerization with Chemically Stable Phosphonate Initiators. Langmuir. 2023. vol. 39, no. 31, 11063-11072. DOI: doi.org/10.1021/acs.langmuir.3c01366}} @misc{li_predicting_corrosion_2023, author={Li, X., Vaghefinazari, B., Würger, T., Lamaka, S.V., Zheludkevich, M.L., Feiler, C.}, title={Predicting corrosion inhibition efficiencies of small organic molecules using data-driven techniques}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-023-00384-z}, abstract = {Selecting effective corrosion inhibitors from the vast chemical space is not a trivial task, as it is essentially infinite. Fortunately, machine learning techniques have shown great potential in generating shortlists of inhibitor candidates prior to large-scale experimental testing. In this work, we used the corrosion responses of 58 small organic molecules on the magnesium alloy AZ91 and utilized molecular descriptors derived from their geometry and density functional theory calculations to encode their molecular information. Statistical methods were applied to select the most relevant features to the target property for support vector regression and kernel ridge regression models, respectively, to predict the behavior of untested compounds. The performance of the two supervised learning approaches were compared and the robustness of the data-driven models were assessed by experimental blind testing.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-023-00384-z} (DOI). Li, X.; Vaghefinazari, B.; Würger, T.; Lamaka, S.; Zheludkevich, M.; Feiler, C.: Predicting corrosion inhibition efficiencies of small organic molecules using data-driven techniques. npj Materials Degradation. 2023. vol. 7, 64. DOI: 10.1038/s41529-023-00384-z}} @misc{chen_smart_micronano_2023, author={Chen, Y., Wu, L., Yao, W., Wu, J., Serdechnova, M., Blawert, C., Zheludkevich, M.L., Yuan, Y., Pan, F.}, title={"Smart" micro/nano container-based self-healing coatings on magnesium alloys: A review}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2023.06.006}, abstract = {Coating technologies are a commonly used way to protect metals against corrosion. However, with more and more severe service environments of materials, many protective coating systems often are not environmentally friendly or toxic as in the case of chromates. Based on the world's abundant ideal magnesium (Mg) and its alloy, the smart self-healing anticorrosive coating can autonomously restore the damaged part of the coating according to the environmental changes, strengthen the corrosion protection ability, and prolong its service life. This paper reviews the research progress of smart self-healing coatings on Mg alloys. These coatings mostly contain suitable corrosion inhibitors encapsulated into micro/nano containers. Moreover, the different self-healing mechanisms and functionalities of micro/nano containers are discussed. The micro/nano containers range from inorganic nanocontainers such as mesoporous nanoparticles (silica (SiO2), titanium dioxide (TiO2), etc.), over inorganic clays (halloysite, hydrotalcite-like, zeolite), to organic nanocontainers such as polymer microcapsules, nanofibers, chitosan (CS) and cyclodextrin (CD), as well as, carbon materials such as graphene and carbon nanotubes and hybrids such as metal organic frameworks. The functioning of micro/nano containers can be divided in two principal groups: autonomous (based on defect filling and corrosion inhibition) and non-autonomous (based on dynamic bonds and shape memory polymers). Moreover, multi functionalities and composite applications of various micro/nano containers are summarized. At present, significant progress has been made in the preparation methods and technologies of micro/nano containers. Achieving long-term self-healing properties of coatings sensing of coating failure and early warning after self-healing function failure can be expected as the main development direction of self-healing corrosion protection coatings in the future.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2023.06.006} (DOI). Chen, Y.; Wu, L.; Yao, W.; Wu, J.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.; Yuan, Y.; Pan, F.: "Smart" micro/nano container-based self-healing coatings on magnesium alloys: A review. Journal of Magnesium and Alloys. 2023. vol. 11, no. 7, 2230-2259. DOI: 10.1016/j.jma.2023.06.006}} @misc{wiese_property_design_2023, author={Wiese, B., Berger, S., Bohlen, J., Nienaber, M., Höche, D.}, title={Property design of extruded magnesium-gadolinium alloys through machine learning}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.mtcomm.2023.106566}, abstract = {Advanced machine learning (ML) techniques can be used to enable fast processes in evaluation, determination of new correlations, and optimization for material design. In this work, we show how a ML-based model can relate the properties (grain size, tensile yield stress, compressible yield stress, ultimate tensile strength, ultimate compressible strength, compressive and tensile strain under failure, hardness and texture) of indirectly extruded Mg-Gd alloys and the process parameters (extrusion velocity and temperature) with the alloy content of Gd between 0 % and 10 %. An ensemble based approach using shallow artificial neural networks was chosen to predict the material properties. A hyper parameter optimization process was used to obtain the lowest error. This machine learning approach allows defining objective functions to predict, among other factors, the anisotropic behaviour of Mg-Gd or the strengths. It is demonstrated how accurately the trained network predicts isotropic extruded alloys and process parameters, with the results checked against validation data. Validation data was obtained by uniaxial tensile and compression testing as well as optical microscopy of the extruded Mg-Gd alloys and is included. The ML based model is overall slightly better in predicting the material properties compared to a linear-regression approach. This approach allows a prediction of the relationship between process parameters, alloy content and properties in the development of this alloy system or comparable Mg systems. In the future, it will be possible to reduce the number of attempts needed to achieve a specific result or even for online quality monitoring. This approach is promising and needs to be evaluated for other systems with further data.}, note = {Online available at: \url{https://doi.org/10.1016/j.mtcomm.2023.106566} (DOI). Wiese, B.; Berger, S.; Bohlen, J.; Nienaber, M.; Höche, D.: Property design of extruded magnesium-gadolinium alloys through machine learning. Materials Today : Communications. 2023. vol. 36, 106566. DOI: 10.1016/j.mtcomm.2023.106566}} @misc{konstantopoulos_materials_characterisation_2023, author={Konstantopoulos, G., Charitidis, C.A., Bañares, M.A., Portela, R., Zangenberg, N., Capria, E., Sebastiani, M., Goldbeck, G., Koumoulos, E., Boskovic, B., Diplas, S., Konchakova, N., Todorov, I., Dykeman, D., Avataneo, S.G., Falzetti, M., Diz, E.L., Reinosa, J.J., Burov, E., Škrelić, D., Jeliazkova, N., Barton, B., Masotti, G., Tamarozzi, T., Alcón, I.M.}, title={Materials characterisation and software tools as key enablers in Industry 5.0 and wider acceptance of new methods and products}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.mtcomm.2023.106607}, abstract = {Recently, the NMBP-35 Horizon 2020 projects - NanoMECommons, CHARISMA, and Easi-stress - organised a collaborative workshop to increase awareness of their contributions to the industry "commons" in terms of characterisation and digital transformation. They have established interoperability standards for knowledge management in characterisation and introduced new solutions for materials testing, aided by the standardisation of faster and more accurate assessment methods. The lessons learned from these projects and the discussions during the joint workshop emphasised the impact of recent developments and emerging needs in the field of characterisation. Specifically, the focus was on enhancing data quality through harmonisation and standardisation, as well as making advanced technologies and instruments accessible to a broader community with the goal of fostering increased trust in new products and a more skilled society. Experts also highlighted how characterisation and the corresponding experimental data can drive future innovation agendas towards technological breakthroughs. The focus of the discussion revolved around the characterisation and standardisation processes, along with the collection of modelling and characterisation tools, as well as protocols for data exchange. The broader context of materials characterisation and modelling within the materials community was explored, drawing insights from the Materials 2030 Roadmap and the experiences gained from NMBP-35 projects. This whitepaper has the objective of addressing common challenges encountered by the materials community, illuminating emerging trends and evolving techniques, and presenting the industry's perspective on emerging requirements and past success stories. It accomplishes this by providing specific examples and highlighting how these experiences can create fresh opportunities and strategies for newcomers entering the market. These advancements are anticipated to facilitate a more efficient transition from Industry 4.0 to 5.0 during the industrial revolution.}, note = {Online available at: \url{https://doi.org/10.1016/j.mtcomm.2023.106607} (DOI). Konstantopoulos, G.; Charitidis, C.; Bañares, M.; Portela, R.; Zangenberg, N.; Capria, E.; Sebastiani, M.; Goldbeck, G.; Koumoulos, E.; Boskovic, B.; Diplas, S.; Konchakova, N.; Todorov, I.; Dykeman, D.; Avataneo, S.; Falzetti, M.; Diz, E.; Reinosa, J.; Burov, E.; Škrelić, D.; Jeliazkova, N.; Barton, B.; Masotti, G.; Tamarozzi, T.; Alcón, I.: Materials characterisation and software tools as key enablers in Industry 5.0 and wider acceptance of new methods and products. Materials Today : Communications. 2023. vol. 36, 106607. DOI: 10.1016/j.mtcomm.2023.106607}} @misc{eixenberger_polymergrafted_3dprinted_2023, author={Eixenberger, D., Kumar, A., Klinger, S., Scharnagl, N., Dawood, A.W.H., Liese, A.}, title={Polymer-grafted 3D-printed Material for Enzyme Immobilization – Designing a Smart Enzyme Carrier}, year={2023}, howpublished = {journal article}, doi = {https://doi.org/10.3390/catal13071130}, abstract = {One way to enhance the flow properties of packed bed reactors, including efficient mass transfer and high catalyst conversion rates, is the use of 3D printing. By creating optimized structures that prevent channeling and high pressure drops, it is possible to achieve the desired target. Nevertheless, additively manufactured structures most often possess a limited surface-area-to-volume-ratio, especially as porous printed structures are not standardized yet. One way to achieve surface-enhanced 3D-printed structures is surface modification to introduce surface-initiated polymers. In addition, when stimuli-sensitive polymers are chosen, autonomous process control is prospective. The current publication deals with the application of surface-induced polymerization on 3D-printed structures with the subsequent application as an enzyme carrier. Surface-induced polymerization can easily increase the number of enzymes by a factor of six compared to the non-modified 3D-printed structure. In addition, the swelling behavior of polyacrylic acid is proven, even with immobilized enzymes, enabling smart reaction control. The maximum activity of Esterase 2 (Est2) from Alicyclobacillus acidocaldarius per g carrier, determined after 2 h of polymer synthesis, is 0.61 U/gsupport. Furthermore, universal applicability is shown in aqueous and organic systems, applying an Est2 and Candida antarctica lipase B (CalB) catalyzed reaction and leaving space for improvement due to compatibility of the functionalization process and the here chosen organic solvent. Overall, no enzyme leaching is detectable, and process stability for at least five subsequent batches is ensured.}, note = {Online available at: \url{https://doi.org/10.3390/catal13071130} (DOI). Eixenberger, D.; Kumar, A.; Klinger, S.; Scharnagl, N.; Dawood, A.; Liese, A.: Polymer-grafted 3D-printed Material for Enzyme Immobilization – Designing a Smart Enzyme Carrier. Catalysts. 2023. vol. 12, no. 2, 1130. DOI: 10.3390/catal13071130}} @misc{campos_cathodic_protection_2022, author={Campos, M., Blawert, C., Scharnagl, N., Störmer, M., Zheludkevich, M.}, title={Cathodic Protection of Mild Steel Using Aluminium-Based Alloys}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.3390/ma15041301}, abstract = {Typically, steel is protected from corrosion by employing sacrificial anodes or coatings based on Zn, Mg, Al or Cd. However, stricter environmental regulations require new environmentally friendly alternatives to replace Cd. Traditionally, Al-based anodes have been employed to cathodically protect steel in marine applications or as ion vapour deposition (IVD)-Al sacrificial coatings for aerospace applications. However, Al tends to passivate, thus losing its protective effect. Therefore, it is important to identify possible alloys that can provide a constantly sufficient current. In this study, Al-X alloys (X = Ag, Bi, Ca, Cr, Cu, Ga, Gd, In, Mg, Mn, Ni, Sb, Si, Sn, V, Ti, Zn and Zr) were firstly tested for a screening of the sacrificial properties of binary systems. Al-0.5Cr, Al-1Sn, Al-0.2Ga, Al-0.1In, Al-2Si and Al-5Zn alloys were suggested as promising sacrificial Al-based alloys. Suitable heat treatments for each system were implemented to reduce the influence of the secondary phases on the corrosion properties by minimising localised attack. extensive evaluation of the corrosion properties, including galvanic coupling of these alloys to steel, was performed in the NaCl electrolyte. A comparative analysis was conducted in order to choose the most promising alloy(s) for avoiding the passivation of Al and for efficient cathodic protection to steel.}, note = {Online available at: \url{https://doi.org/10.3390/ma15041301} (DOI). Campos, M.; Blawert, C.; Scharnagl, N.; Störmer, M.; Zheludkevich, M.: Cathodic Protection of Mild Steel Using Aluminium-Based Alloys. Materials. 2022. vol. 15, no. 4, 1301. DOI: 10.3390/ma15041301}} @misc{han_corrosion_and_2022, author={Han, J., Yu, Y., Yang, J., Xiaopeng, L., Blawert, C., Zheludkevich, M.L.}, title={Corrosion and wear performance of La2O3 doped plasma electrolytic oxidation coating on pure Mg}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2022.128112}, abstract = {With the aim of improving the corrosion and wear resistance of pure magnesium, La2O3 nano-particles are added into the PEO electrolyte. The influence of the particles on coating formation, morphology and performance is investigated. Results indicate that the porosity and thickness decrease remarkably after the particle incorporation which influences the corrosion and wear resistance in return. The coating with 1 g particle addition shows lowest porosity and highest hardness value, resulting in superior corrosion and wear performance, which implies the feasibility of the proposed strategy in fabricating functionalized PEO coatings on Mg-based materials.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2022.128112} (DOI). Han, J.; Yu, Y.; Yang, J.; Xiaopeng, L.; Blawert, C.; Zheludkevich, M.: Corrosion and wear performance of La2O3 doped plasma electrolytic oxidation coating on pure Mg. Surface and Coatings Technology. 2022. vol. 433, 128112. DOI: 10.1016/j.surfcoat.2022.128112}} @misc{benseghier_prediction_of_2022, author={Ben Seghier, M., Höche, D., Zheludkevich, M.}, title={Prediction of the internal corrosion rate for oil and gas pipeline: Implementation of ensemble learning techniques}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jngse.2022.104425}, abstract = {This paper proposes a practical implementation of robust ensemble learning models for accurate prediction of the internal corrosion rate in oil and gas pipelines. A correct assessment of the corrosion rate in fluid flowed oil and gas pipelines has a significant influence on the system's safety and the ability to control operation. The developed predictive data driven models include four ensemble learning approaches, namely random forest, adoptive boosting, gradient boosting regression tree, and extreme gradient boosting. The implementation procedure of these predictive models integrates a comprehensive database of eight system descriptors, extracted from the literature, while k-fold cross validation is employed to guarantee high performance and generalization. In addition, the obtained results of the internal corrosion rate are subjected to rigorous statistical and graphical analysis to evaluate the models performance and compare their abilities. The extreme gradient boosting model indicate the highest performance in the prediction of the internal corrosion rate in oil and gas pipelines based on the calculated single and global metrics, with a mathematical RMSE value of internal corrosion rate 0.031 mm/y and performance index, PI = 0.61. Besides, the significance of the input variables is determined through a sensitivity analyses by using feature importance criteria, whereas for the applied dataset strongest corrosion rate dependency to temperature and the pressure was shown beside the CO2 contribution. In overall, the ensemble learning models show a significant performance in the internal corrosion rate predictions, while the extreme gradient boosting model is beneficial to model the internal corrosion rate in oil and gas pipelines due to its high performance.}, note = {Online available at: \url{https://doi.org/10.1016/j.jngse.2022.104425} (DOI). Ben Seghier, M.; Höche, D.; Zheludkevich, M.: Prediction of the internal corrosion rate for oil and gas pipeline: Implementation of ensemble learning techniques. Journal of Natural Gas Science and Engineering. 2022. vol. 99, 50288. DOI: 10.1016/j.jngse.2022.104425}} @misc{hermann_combining_peridynamic_2022, author={Hermann, A., Shojaei, A., Steglich, D., Höche, D., Zeller-Plumhof, B., Cyron, C.}, title={Combining peridynamic and finite element simulations to capture the corrosion of degradable bone implants and to predict their residual strength}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ijmecsci.2022.107143}, abstract = {This paper proposes a computational framework to describe the biodegradation of magnesium (Mg)-based bone implants. It is based on a sequential combination of two models: an electrochemical corrosion model to compute the mass loss of the implant over several weeks combined with a mechanical model to assess its residual mechanical strength. The first model uses a peridynamic (PD) corrosion model to tackle the complex moving boundary of the corroding material in an efficient manner. The results of this corrosion simulation are mapped to a finite element (FE) model by way of a damage variable. Subsequently, the FE model is used for mechanical analysis. To use PD for such a complex problem, we proposed three innovative improvements compared to state-of-the-art PD models: (1) application of an adaptive multi-grid discretization in space and an implicit time-stepping algorithm enabling an efficient simulation of the complex implant geometry over prolonged periods, (2) novel non-local Dirichlet absorbing boundary conditions to truncate the simulation domain in the close neighborhood of the implant of interest without prohibitive losses of accuracy, and (3) selection of suitable non-local kernel functions and parameter calibration on the basis of experimental data by an evolutionary algorithm. We demonstrate that this framework can capture the loss of implant mass due to corrosion for typical alloys such as Mg-5Gd and Mg-10Gd. Moreover, we point out how this framework can be used in the future to predict the declining mechanical strength of bone screws subject to biocorrosion over several weeks.}, note = {Online available at: \url{https://doi.org/10.1016/j.ijmecsci.2022.107143} (DOI). Hermann, A.; Shojaei, A.; Steglich, D.; Höche, D.; Zeller-Plumhof, B.; Cyron, C.: Combining peridynamic and finite element simulations to capture the corrosion of degradable bone implants and to predict their residual strength. International Journal of Mechanical Sciences. 2022. vol. 220, 107143. DOI: 10.1016/j.ijmecsci.2022.107143}} @misc{vaghefinazari_exploring_the_2022, author={Vaghefinazari, B., Snihirova, D., Wang, C., Wang, L., Deng, M., Höche, D., Lamaka, S.V., Zheludkevich, M.L.}, title={Exploring the effect of sodium salt of Ethylenediaminetetraacetic acid as an electrolyte additive on electrochemical behavior of a commercially pure Mg in primary Mg-air batteries}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jpowsour.2022.231176}, abstract = {In this study, sodium salt of Ethylendiaminetetraacetic acid (EDTA), a strong and widely-used complexing agent, was utilized as an additive for a primary Mg-air battery electrolyte with a commercially pure magnesium anode. The electrolyte pH (ranged 7.0 to 11.0) was taken as the main parameter to explore the effect of EDTA on the discharge performance of the Mg anode. The results show that the most negative half-cell discharge potential of the Mg anode is achieved in the slightly alkaline pH around 9, at which the EDTA has the strongest ability to prevent the formation of fouling Mg(OH)2 and improve the anode activity. The utilization efficiency of the discharged Mg anode is enhanced with the increase in pH of the electrolyte due to several mechanisms, including suppressing the chunk effect, weakening the detrimental Negative Difference Effect (NDE), and promoting the formation of a more protective layer on the Mg anode surface.}, note = {Online available at: \url{https://doi.org/10.1016/j.jpowsour.2022.231176} (DOI). Vaghefinazari, B.; Snihirova, D.; Wang, C.; Wang, L.; Deng, M.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Exploring the effect of sodium salt of Ethylenediaminetetraacetic acid as an electrolyte additive on electrochemical behavior of a commercially pure Mg in primary Mg-air batteries. Journal of Power Sources. 2022. vol. 527, 231176. DOI: 10.1016/j.jpowsour.2022.231176}} @misc{tenholt_design_of_2022, author={Tenholt, C., Höche, D., Schieda, M., Klassen, T.}, title={Design of a reference model for fast optimization of photo-electrochemical cells}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1039/D1SE01671G}, abstract = {In research and development of photo-electrochemical (PEC) cells for water splitting, most results up to now are based on simulations and experiments on laboratory scales. However, to make PEC cells attractive for application, scaling up their size and energy efficiency is necessary. Therefore, we investigate the effects of stepwise upscaling of PEC cells. On the experimental level, cells with metal oxide electrodes of different sizes and shapes as well as cell tank geometries are characterized with respect to their surface reactions and photo-current output. In order to predict their behavior on different scales, a computer-aided reference model is developed simultaneously. This is benchmarked by testing various cell sizes and shapes, enabled by fast and cost-efficient fabrication via 3D printing. Machine learning via Bayesian optimization was employed to optimize the PEC cell simulation model input parameters, resulting in very good agreement within a few percent of computed and measured current–voltage curves with Pt-electrodes. Transferring these input parameters to the same cell geometry but with a semiconductor anode, deviations of less than 25% were observed. Here, we present experimental results of the PEC cells, as well as the first drafts of the simulation model and the optimization approach.}, note = {Online available at: \url{https://doi.org/10.1039/D1SE01671G} (DOI). Tenholt, C.; Höche, D.; Schieda, M.; Klassen, T.: Design of a reference model for fast optimization of photo-electrochemical cells. Sustainable Energy and Fuels. 2022. vol. 6, no. 6, 1489-1498. DOI: 10.1039/D1SE01671G}} @misc{yao_microarc_oxidation_2022, author={Yao, W., Wu, L., Wang, J., Jiang, B., Zhang, D., Serdechnova, M., Shulha, T., Blawert, C., Zheludkevich, M., Pan, F.}, title={Micro‐arc oxidation of magnesium alloys: A review}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jmst.2021.11.053}, abstract = {Magnesium (Mg) and its alloys present great potential to be extensively applied in different applications. However, the relatively poor resistance to corrosion and wear significantly restricts their applications in practice. As one of strategies of surface treatment, micro-arc oxidation (MAO) process attracts a lot of attention, since it does not use neither expensive equipment, nor complicated manipulation. This review systematically discusses MAO mechanism and some typical models, which still need to be further developed to provide a better understanding and guide for future researchers. Subsequently, main influencing factors of MAO process are analyzed in detail. Further, some popular applications of MAO coatings are respectively reviewed, including biomedical application, decoration, thermal control, corrosion and wear resistance, and industrial applications in practice. The existing issues and future perspectives are finally discussed to further accelerate extensive applications of Mg alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.jmst.2021.11.053} (DOI). Yao, W.; Wu, L.; Wang, J.; Jiang, B.; Zhang, D.; Serdechnova, M.; Shulha, T.; Blawert, C.; Zheludkevich, M.; Pan, F.: Micro‐arc oxidation of magnesium alloys: A review. Journal of Materials Science & Technology. 2022. vol. 118, 158-180. DOI: 10.1016/j.jmst.2021.11.053}} @misc{zhu_in_situ_2022, author={Zhu, Y., Song, G., Zheng, D., Serdechnova, M., Blawert, C., Zheludkevich, M.}, title={In situ synergistic strategy of sacrificial intermedium for scalable-manufactured and controllable layered double hydroxide film}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1007/s40843-021-1975-y}, abstract = {Layered double hydroxides (LDHs), a class of two-dimensional (2D) brucite-like layers, have been effectively applied in diverse fields. However, the current synthesis methods restrict the in situ scaling-up and tunable production of LDH-based materials. Inspired by the growing characteristic of “Bryophyllum pinnatum”, a sacrificial co-sputtered Zn−Al transition layer was introduced for the first time to in situ grow a scalable-manufactured and thickness-controllable LDH film on arbitrary substrate materials with flexible shapes through “partial dissolution” and “solution infiltration” processes. Diverse LDH films could be tailored by the creative regulation of the component, structure and surface state of the transition layer. Results showed that the as-prepared LDH film had strong mechanical robustness under harsh abrasion conditions due to its large thickness and multi-level microstructure. Moreover, a series of galvanic couple model experiments based on Zn/Al single-metal transition layers were designed to solve the real-time monitoring issue in the complex hydrothermal solution. This work not only develops a new strategy to design and grow in situ LDH films with multifaceted features, but also reveals sophisticated LDH formation mechanisms. Hence, the findings of this study may broaden the practical application of LDH-based materials toward advanced and smart devices.}, note = {Online available at: \url{https://doi.org/10.1007/s40843-021-1975-y} (DOI). Zhu, Y.; Song, G.; Zheng, D.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.: In situ synergistic strategy of sacrificial intermedium for scalable-manufactured and controllable layered double hydroxide film. Science China Materials. 2022. vol. 65, no. 7, 1842-1852. DOI: 10.1007/s40843-021-1975-y}} @misc{li_atomistic_insight_2022, author={Li, X., Würger, T., Feiler, C., Meißner, R., Serdechnova, M., Blawert, C., Zheludkevich, M.}, title={Atomistic Insight into the Hydration States of Layered Double Hydroxides}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1021/acsomega.2c01115}, abstract = {Effective protective coatings are an essential component of lightweight engineering materials in a large variety of applications as they ensure structural integrity of the base material throughout its whole service life. Layered double hydroxides (LDHs) loaded with corrosion inhibitors depict a promising approach to realize an active corrosion protection for aluminum and magnesium. In this work, we employed a combination of density functional theory and molecular dynamics simulations to gain a deeper understanding of the influence of intercalated water content on the structure, the stability, and the anion-exchange capacity of four different LDH systems containing either nitrate, carbonate, or oxalate as potential corrosion inhibiting agents or chloride as a corrosion initiator. To quantify the structural change, we studied the atom density distribution, radial distribution function, and orientation of the intercalated anions. Additionally, we determined the stability of the LDH systems by calculating their respective hydration energies, hydrogen-bonded network connected to the intercalated water molecules, as well as the self-diffusion coefficients of the intercalated anions to provide an estimate for the probability of their release after intercalation. The obtained computational results suggest that the hydration state of LDHs has a significant effect on their key properties like interlayer spacing and self-diffusion coefficients of the intercalated anions. Furthermore, we conclude from our simulation results that a high self-diffusion coefficient which is linked to the mobility of the intercalated anions is vital for its release via an anion-exchange mechanism and to subsequently mitigate corrosion reactions. Furthermore, the presented theoretical study provides a robust force field for the computer-assisted design of further LDH-based active anticorrosion coatings.}, note = {Online available at: \url{https://doi.org/10.1021/acsomega.2c01115} (DOI). Li, X.; Würger, T.; Feiler, C.; Meißner, R.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.: Atomistic Insight into the Hydration States of Layered Double Hydroxides. ACS Omega. 2022. vol. 7, no. 14, 12412-12423. DOI: 10.1021/acsomega.2c01115}} @misc{shariati_parallel_simulation_2022, author={Shariati, M., Weber, W., Höche, D.}, title={Parallel simulation of the Poisson–Nernst–Planck corrosion model with an algebraic flux correction method}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.finel.2022.103734}, abstract = {In this paper, a chain of scientific tools is applied to provide a flexible, efficient, and extensible toolchain that is capable of addressing limitations in corrosion simulation. A previously developed computational model of galvanic corrosion for Magnesium–Aluminium couples is considered and the necessities on the choice of implementation strategy is presented. Within this context the suitability of a novel approach, based on a recent developed algebraic flux correction method, is discussed. This suitability is argued in two directions. First, the agreement of the finite element theory with the characteristics of the problem. Second, the advantage of the method and the benefits gained by utilizing the implementation strategy. It is shown that the composition of the tools, and the finite element method successfully captures the expected model results and pose a good trade-off between simplicity, flexibility, and efficiency for a wider range of models.}, note = {Online available at: \url{https://doi.org/10.1016/j.finel.2022.103734} (DOI). Shariati, M.; Weber, W.; Höche, D.: Parallel simulation of the Poisson–Nernst–Planck corrosion model with an algebraic flux correction method. Finite Element in Analysis and Design. 2022. vol. 206, 103734. DOI: 10.1016/j.finel.2022.103734}} @misc{zellerplumhoff_computational_modelling_2022, author={Zeller-Plumhoff, B., AlBaraghtheh, T., Höche, D., Willumeit-Römer, R.}, title={Computational modelling of magnesium degradation in simulated body fluid under physiological conditions}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.11.014}, abstract = {Magnesium alloys are highly attractive for the use as temporary implant materials, due to their high biocompatibility and biodegradability. However, the prediction of the degradation rate of the implants is difficult, therefore, a large number of experiments are required. Computational modelling can aid in enabling the predictability, if sufficiently accurate models can be established. This work presents a generalized model of the degradation of pure magnesium in simulated body fluid over the course of 28 days considering uncertainty aspects. The model includes the computation of the metallic material thinning and is calibrated using the mean degradation depth of several experimental datasets simultaneously. Additionally, the formation and precipitation of relevant degradation products on the sample surface is modelled, based on the ionic composition of simulated body fluid. The computed mean degradation depth is in good agreement with the experimental data (NRMSE=0.07). However, the quality of the depth profile curves of the determined elemental weight percentage of the degradation products differs between elements (such as NRMSE=0.40 for phosphorus vs. NRMSE=1.03 for magnesium). This indicates that the implementation of precipitate formation may need further developments. The sensitivity analysis showed that the model parameters are correlated and which is related to the complexity and the high computational costs of the model. Overall, the model provides a correlating fit to the experimental data of pure Mg samples of different geometries degrading in simulated body fluid with reliable error estimation.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.11.014} (DOI). Zeller-Plumhoff, B.; AlBaraghtheh, T.; Höche, D.; Willumeit-Römer, R.: Computational modelling of magnesium degradation in simulated body fluid under physiological conditions. Journal of Magnesium and Alloys. 2022. vol. 10, no. 4, 965-978. DOI: 10.1016/j.jma.2021.11.014}} @misc{wang_biodegradation_behaviour_2022, author={Wang, C., Tonna, C., Mei, D., Buhagiar, J., Zheludkevich, M., Lamaka, S.}, title={Biodegradation behaviour of Fe-based alloys in Hanks’ Balanced Salt Solutions: Part II. The evolution of local pH and dissolved oxygen concentration at metal interface}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.bioactmat.2021.05.014}, abstract = {Commercially pure Fe, Fe35Mn, and (Fe35Mn)5Ag alloys were prepared by uniaxial pressing of the mixture of individual powders, followed by sintering. The influence of the alloying elements Mn and Ag on the corrosion behaviour of these Fe-based alloys was investigated in Hanks’ Balanced Salt Solution (HBSS). Furthermore, the role of the components in HBSS, particularly Ca2+ ions during alloys degradation was studied. Distribution of local pH and dissolved oxygen concentration was measured 50 μm above the interface of the degrading alloys. The results revealed that 5 wt% Ag addition to Fe35Mn alloy triggered micro-galvanic corrosion, while uniform corrosion dominated in pure Fe and Fe35Mn. Fast precipitation of Ca–P-containing products on the surface of these Fe-based alloys buffered local pH at the metal interface, and blocked oxygen diffusion at the initial stages of immersion. In the (Fe35Mn)5Ag, the detachment or structural changes of Ca–P-containing products gradually diminished their barrier property. These findings provided valuable insights into the degradation mechanism of promising biodegradable Fe-based alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.bioactmat.2021.05.014} (DOI). Wang, C.; Tonna, C.; Mei, D.; Buhagiar, J.; Zheludkevich, M.; Lamaka, S.: Biodegradation behaviour of Fe-based alloys in Hanks’ Balanced Salt Solutions: Part II. The evolution of local pH and dissolved oxygen concentration at metal interface. Bioactive Materials. 2022. vol. 7, 412-425. DOI: 10.1016/j.bioactmat.2021.05.014}} @misc{wu_peo_processing_2022, author={Wu, T., Blawert, C., Serdechnova, M., Karlova, P., Dovzhenko, G., Wieland, F., Zheludkevich, M.}, title={PEO processing of AZ91Nd/Al2O3 MMC-the role of alumina fibers}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.09.017}, abstract = {This work reports the influence of alumina fiber reinforcement of an AZ91Nd MMC (metal matrix composite) on the PEO coating formation process in a sodium phosphate-based electrolyte. By comparison with the pure AZ91Nd, the evolution of alumina fiber during the processing and the characteristics of the resultant PEO coating were investigated. The voltage response as a function of processing time was changed. Lower voltage in the presence of alumina fiber is responsible for the lower coating thickness. The morphology and phase composition of the coatings are also influenced by the incorporation of the fiber. Firstly, the fiber is embedded in the coating and interrupts the continuity of the coating. With increasing processing time, the fiber is found to be reactively incorporated in the coating. The intention to produce a MgAl2O4 containing coating is achieved and it is mainly accumulated near the coating surface. However, due to the low number of fibers, the Al content is overall still low and only near to the fibers the MgAl2O4 spinel phase can form.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.09.017} (DOI). Wu, T.; Blawert, C.; Serdechnova, M.; Karlova, P.; Dovzhenko, G.; Wieland, F.; Zheludkevich, M.: PEO processing of AZ91Nd/Al2O3 MMC-the role of alumina fibers. Journal of Magnesium and Alloys. 2022. vol. 10, no. 2, 423-439. DOI: 10.1016/j.jma.2021.09.017}} @misc{wang_local_ph_2022, author={Wang, C., Liu, X., Mei, D., Deng, M., Zheng, Y., Zheludkevich, M., Lamaka, S.}, title={Local pH and oxygen concentration at the interface of Zn alloys in Tris-HCl or HEPES buffered Hanks’ balanced salt solution}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.110061}, abstract = {Although Tris-HCl and HEPES are typically used pH buffers for in vitro studies, they are recently proven to be unable to stabilize local pH at Mg interface in simulated body fluids. In this study, local pH close to physiological (7.1–7.5) was found at metal/fluid interface of pure Zn, Zn-0.8 wt%Ca and Zn-0.8 wt%Mg alloys in Tris-HCl or HEPES buffered Hanks’ balanced salt solution (HBSS) at 37 °C under hydrodynamic conditions. High rate oxygen consumption was detected above Zn alloys in various HBSS electrolytes. These findings support the previous recommendation of using synthetic pH buffers for in vitro studies of biodegradable Zn-based alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.110061} (DOI). Wang, C.; Liu, X.; Mei, D.; Deng, M.; Zheng, Y.; Zheludkevich, M.; Lamaka, S.: Local pH and oxygen concentration at the interface of Zn alloys in Tris-HCl or HEPES buffered Hanks’ balanced salt solution. Corrosion Science. 2022. vol. 197, 110061. DOI: 10.1016/j.corsci.2021.110061}} @misc{wang_low_interfacial_2022, author={Wang, C., Song, C., Mei, D., Wang, L., Wang, W., Wu, T., Snihirova, D., Zheludkevich, M., Lamaka, S.}, title={Low interfacial pH discloses the favorable biodegradability of several Mg alloys}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.110059}, abstract = {Low interfacial pH (7.5–8.0) and corrosion rate were found for several Mg alloys (CP-Mg, UHP-Mg, Mg-0.15 wt%Ca, Mg-4 wt%Ag) in Ca2+-containing Hanks’ Balanced Salt Solution (HBSS, = 7.4) at 37 °C under hydrodynamic condition. Low interfacial pH and corrosion rate originated from the facilitated formation of the protective calcium-phosphate-rich precipitates at 37 °C. This study indicates that Mg degradation in a quasi-physiological environment causes only slight alkalization (pH < 8.0), as opposed to the high local and bulk pH (ca. 10.4) characteristic for Mg in NaCl electrolyte. It is also stressed that no synthetic pH buffers should be added to constantly supplied Ca2+-containing HBSS.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.110059} (DOI). Wang, C.; Song, C.; Mei, D.; Wang, L.; Wang, W.; Wu, T.; Snihirova, D.; Zheludkevich, M.; Lamaka, S.: Low interfacial pH discloses the favorable biodegradability of several Mg alloys. Corrosion Science. 2022. vol. 197, 110059. DOI: 10.1016/j.corsci.2021.110059}} @misc{zhang_highly_selective_2022, author={Zhang, Z., Rahman, M., Bajer, B., Scharnagl, N., Abetz, V.}, title={Highly selective isoporous block copolymer membranes with tunable polyelectrolyte brushes in soft nanochannels}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.memsci.2022.120266}, abstract = {We used partial crosslinking of the pore-forming block of quaternized PS-b-P4VP integral asymmetric isoporous membranes as a tool to control the effective pore size in aqueous and alcoholic media. A versatile top-down membrane post-modification approach using a combination of difunctional and monofunctional alkyl halide was employed to obtain well-defined nanochannels containing polyelectrolyte brushes. Mild and scalable gas-solid reactions were used for the membrane post-modification. The permeance of the modified membranes changed systematically over a wide range, proving the potential of using the membrane post-modification technique to tailor the pore size from ultrafiltration to nanofiltration regime. Using a membrane post-modification technique, for the first time a series of integral asymmetric isoporous membranes having equal charge density but distinct effective pore size was successfully prepared. The separation performance based on size and charge is demonstrated by separating 1–2 nm organic molecules (having molecular weights in the range of 248–480 g mol−1) with excellent selectivity and permeance. For example, one of the prepared membranes showed a 2.4 times higher retention of methylene blue (MB+, 319.85 g mol−1) than chrysoidine G (CG+, 248.71 g mol−1) from an aqueous feed solution containing equimolar MB+ and CG + while the permeance was 134 Lm−2h−1bar−1.}, note = {Online available at: \url{https://doi.org/10.1016/j.memsci.2022.120266} (DOI). Zhang, Z.; Rahman, M.; Bajer, B.; Scharnagl, N.; Abetz, V.: Highly selective isoporous block copolymer membranes with tunable polyelectrolyte brushes in soft nanochannels. Journal of Membrane Science. 2022. vol. 646, 120266. DOI: 10.1016/j.memsci.2022.120266}} @misc{rakoch_role_of_2022, author={Rakoch, A.G., Van Tuan, T., Khabibullina, Z.V., Blawert, C., Serdechnova, M., Scharnagl, N., Zheludkevich, M.L., Gladkova, A.A.}, title={Role of cobalt additive on formation and anticorrosion properties of PEO coatings on AA2024 alloy in alkali-silicate electrolyte}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2021.128075}, abstract = {Mechanisms of PEO coatings formation on AA2024 aluminum alloy in an aqueous solution, containing 3 g/L NaOH and 5 g/L Na2O∙2.9SiO2∙18H2O (base electrolyte) and with addition of 1.5 g/L CoOOH∙H2O, are studied. This addition results in a formation of black coatings. It is determined that structure, phase and elemental compositions of the coatings correlated with the corrosion properties. For coatings, grown in the base electrolyte, anodic and cathodic current densities and the value of impedance modulus (|Z|f=0.01Hz) improves with the increase of the coatings thickness due to the healing of internal pores during extended PEO processing, according to the results of electrochemical measurements in 0.5 wt% NaCl solution. However, the results of electrochemical tests of coatings, synthesized in the electrolyte with CoOOH∙H2O differ. For short-term immersion (up to 24 h), thin coating (~17 μm) demonstrates the lowest current densities and the highest value of impedance modulus (|Z|f=0.01Hz) in comparison to the thicker coatings (~48, 82 μm). However, after longer exposure (up to 168 h) the thickest coating (~82 μm) has the best long-term stability. This behavior and the most probable mechanism of black coatings formation are suggested and explained as function of coating properties and exposure time in NaCl solution.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2021.128075} (DOI). Rakoch, A.; Van Tuan, T.; Khabibullina, Z.; Blawert, C.; Serdechnova, M.; Scharnagl, N.; Zheludkevich, M.; Gladkova, A.: Role of cobalt additive on formation and anticorrosion properties of PEO coatings on AA2024 alloy in alkali-silicate electrolyte. Surface and Coatings Technology. 2022. vol. 433, 128075. DOI: 10.1016/j.surfcoat.2021.128075}} @misc{shulha_in_situ_2022, author={Shulha, T., Serdechnova, M., Iuzviuk, M., Zobkalo, I., Karlova, P., Scharnagl, N., Wieland, F., Lamaka, S., Yaremchenko, A., Blawert, C., Zheludkevich, M.}, title={In situ formation of LDH-based nanocontainers on the surface of AZ91 magnesium alloy and detailed investigation of their crystal structure}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.10.006}, abstract = {In the presented work, the possibility of direct synthesis of LDH (layered double hydroxide) on the AZ91 surface in the presence of a chelating agent (diethylenetriaminepentaacetic acid - DTPA) is reported. Conversion layer of LDH nanocontainers were formed under ambient pressure conditions without carbonate addition in the electrolyte. The obtained LDH was characterized using experimental (SEM, XRD, TGA, XPS, Raman, etc.) and computational methods (thermodynamic calculation, modeling of possible LDH crystal structures). A comparison of three possible LDHs (LDH-OH, -NO3 and -CO3) was performed. Based on the experimental results and crystal simulation approach, it was confirmed, that the mixed LDH-OH/CO3 is grown on the surface in the presence of DTPA pentasodium salt.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.10.006} (DOI). Shulha, T.; Serdechnova, M.; Iuzviuk, M.; Zobkalo, I.; Karlova, P.; Scharnagl, N.; Wieland, F.; Lamaka, S.; Yaremchenko, A.; Blawert, C.; Zheludkevich, M.: In situ formation of LDH-based nanocontainers on the surface of AZ91 magnesium alloy and detailed investigation of their crystal structure. Journal of Magnesium and Alloys. 2022. vol. 10, no. 5, 1268-1285. DOI: 10.1016/j.jma.2021.10.006}} @misc{yasakau_the_effect_2022, author={Yasakau, K., Maltseva, A., Lamaka, S., Mei, D., Ovri, H., Volovitch, P., Ferreira, M., Zheludkevich, M.}, title={The effect of carboxylate compounds on Volta potential and corrosion inhibition of Mg containing different levels of iron}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109937}, abstract = {Corrosion protection and surface properties of Magnesium (Mg) containing 51 ppm Fe (HP-Mg) and 341 ppm Fe (CP-Mg) were assessed by EIS, AFM/SKPFM, and photoluminescence spectroscopy in NaCl solutions with/without fumarate (Fum), 2,5-pyridinedicarboxylate (PDCA) and salicylate (Sal) carboxylates. The PDCA was effective in corrosion inhibition of HP-Mg and CP-Mg, while the Sal was efficient in inhibition of CP-Mg only. Volta potential (VPD) changes on Mg were evaluated considering the contribution of molecular dipoles and chemical dipoles due to interaction of carboxylate groups present in carboxylates with Mg. VPD of CP-Mg increased due to adsorption of Fe(III)-salicylate complexes and salicylate molecules.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109937} (DOI). Yasakau, K.; Maltseva, A.; Lamaka, S.; Mei, D.; Ovri, H.; Volovitch, P.; Ferreira, M.; Zheludkevich, M.: The effect of carboxylate compounds on Volta potential and corrosion inhibition of Mg containing different levels of iron. Corrosion Science. 2022. vol. 194, 109937. DOI: 10.1016/j.corsci.2021.109937}} @misc{gazenbiller_semiconducting_properties_2022, author={Gazenbiller, E., Khan, Q.A., Rico-Oller, B., Hackner, A., Meer, T., Hack, T., Langer, B., Beneke, M., Kröger-Kallis, B., Zheludkevich, M.L., Höche, D.}, title={Semiconducting properties of surface-treated titanium and their effect on peel resistance: Experimental and modelling studies}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ijadhadh.2021.103049}, abstract = {The studies show clear indication for a complex interaction between the adhesion contributing underlying physio-chemical mechanisms. Crucial insights into the electrochemistry at the respective interfaces and their relevance for joint design are provided.}, note = {Online available at: \url{https://doi.org/10.1016/j.ijadhadh.2021.103049} (DOI). Gazenbiller, E.; Khan, Q.; Rico-Oller, B.; Hackner, A.; Meer, T.; Hack, T.; Langer, B.; Beneke, M.; Kröger-Kallis, B.; Zheludkevich, M.; Höche, D.: Semiconducting properties of surface-treated titanium and their effect on peel resistance: Experimental and modelling studies. International Journal of Adhesion and Adhesives. 2022. vol. 113, 103049. DOI: 10.1016/j.ijadhadh.2021.103049}} @misc{wang_revealing_physical_2022, author={Wang, L., Snihirova, D., Deng, M., Vaghefinazari, B., Höche, D., Lamaka, S., Zheludkevich, M.}, title={Revealing physical interpretation of time constants in electrochemical impedance spectra of Mg via Tribo-EIS measurements}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.electacta.2021.139582}, abstract = {Tribo-electrochemical impedance spectroscopy (Tribo-EIS) measurements of pure Mg were performed to identify the origin of two time constants during standard EIS measurements in NaCl solution. The influence of abrasion introduced by tribometer on EIS spectra was investigated under different rotation speeds. Further quantitative analyses of abrasion on Mg with different surface areas were performed. The resistances associated to the two time constants on the abraded surface were deduced from the fitted results, verifying that the high frequency time constant originates from the barrier properties of the MgO-based surface film and the middle frequency time constant stems from the charge transfer process.}, note = {Online available at: \url{https://doi.org/10.1016/j.electacta.2021.139582} (DOI). Wang, L.; Snihirova, D.; Deng, M.; Vaghefinazari, B.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Revealing physical interpretation of time constants in electrochemical impedance spectra of Mg via Tribo-EIS measurements. Electrochimica Acta. 2022. vol. 404, 139582. DOI: 10.1016/j.electacta.2021.139582}} @misc{wu_formation_of_2022, author={Wu, T., Blawert, C., Serdechnova, M., Karlova, P., Dovzhenko, G., Wieland, F., Stojadinovic, S., Vasilicd, R., Mojsilovic, K., Zheludkevich, M.}, title={Formation of plasma electrolytic oxidation coatings on pure niobium in different electrolytes}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.apsusc.2021.151629}, abstract = {The development of PEO surface treatments for Nb (niobium) provides a possibility to produce functionalized coatings with a combination of new compositions and phases. In the frame of this work, PEO coatings on pure Nb are produced in three electrolytes containing aluminate, phosphate and silicate. Furthermore, the influence of the electrolyte composition on the PEO process and the microstructure, composition and properties of the coatings were studied. It was observed that most of the coating forming species did not participate in the plasma reactions directly, while the chemical-, electrochemical- and thermal stimulated reactions are dominating the coating formation. The results show that all the coatings are mainly composed of the Nb2O5 phase. An additional mixture of oxides (Al2O3 and AlNbO4) is found in the coating formed in aluminate-containing electrolyte, and the coating formed in phosphate-containing electrolyte contains a small amount of Nb2(PO4)3 and amorphous phosphate. No additional crystalline phase other than the amorphous silica phase is detected in the coating formed in silicate-containing electrolyte. Additionally, different morphology of the coatings is revealed and the most uniform coating is produced in silicate-containing electrolyte, which further improves its corrosion resistance. This coating also shows the highest photocatalytic activity due to the combination of Nb2O5 and silica. Since all PEO coatings on pure Nb show superior corrosion resistance and photocatalytic activity, they might be interesting for a wide range of applications ranging from transportation, biomedical implants to environmental protection.}, note = {Online available at: \url{https://doi.org/10.1016/j.apsusc.2021.151629} (DOI). Wu, T.; Blawert, C.; Serdechnova, M.; Karlova, P.; Dovzhenko, G.; Wieland, F.; Stojadinovic, S.; Vasilicd, R.; Mojsilovic, K.; Zheludkevich, M.: Formation of plasma electrolytic oxidation coatings on pure niobium in different electrolytes. Applied Surface Science. 2022. vol. 573, 151629. DOI: 10.1016/j.apsusc.2021.151629}} @misc{daneshian_features_of_2022, author={Daneshian, B., Gärtner, F., Assadi, H., Vidaller, M., Höche, D., Klassen, T.}, title={Features of ceramic nanoparticle deformation in aerosol deposition explored by molecular dynamics simulation}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2021.127886}, abstract = {The deformation and bonding of particles in Aerosol Deposition (AD) is a topic of growing technological interest for solid-state coating and additive manufacturing with ceramic materials. The core feature of the AD process is the unexpected plasticity of ceramics at high strain rates and small length scales, which is also a topic of general interest for understanding the response of intrinsically brittle materials to dynamic deformation. We explore this feature through computational analysis of the impact of ceramic particles – modelled based on a Lennard-Jones description of submicron TiO2-anatase particles in a two-dimensional molecular-dynamics system – onto a substrate at a range of impact velocities (100–800 m/s). The deformation behaviour of the particle for each impact velocity was analysed with respect to the evolution of the stress, strain, and temperature fields. The results reveal indications of dislocation-based plasticity within a certain velocity regime. This velocity regime, which becomes narrower with increasing the particle size, coincides incidentally with bonding of particles to the substrate in AD. The results also show that outside this regime, the impact is associated predominantly with either rebounding (at lower velocities) or particle fracture (at higher velocities). The simulation results are interpreted in view of a phenomenological model of fragmentation, considering the interplay between the material properties, such as the fracture energy, and the kinetic energy of particles upon impact. Based on the simulations and the analytical model, a window of deposition is proposed for AD.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2021.127886} (DOI). Daneshian, B.; Gärtner, F.; Assadi, H.; Vidaller, M.; Höche, D.; Klassen, T.: Features of ceramic nanoparticle deformation in aerosol deposition explored by molecular dynamics simulation. Surface and Coatings Technology. 2022. vol. 429, 127886. DOI: 10.1016/j.surfcoat.2021.127886}} @misc{wang_enhancement_of_2022, author={Wang, L., Snihirova, D., Deng, M., Vaghefinazari, B., Höche, D., Lamaka, S., Zheludkevich, M.}, title={Enhancement of discharge performance for aqueous Mg-air batteries in 2;6-dihydroxybenzoate-containing electrolyte}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.cej.2021.132369}, abstract = {In this work, 2,6-dihydroxytbenzoate (2,6-DHB) is evaluated as an efficient electrolyte additive for aqueous Mg-air batteries based on diverse metallic Mg anodes. EIS measurements amid intermittent discharge and real-time hydrogen evolution measurements during discharge were applied to clarify the effective mechanism. The dependence of working mechanism on 2,6-DHB concentration was investigated for a newly developed Mg-0.15Ca anode. The results reveal that sufficient amount of 2,6-DHB simultaneously improves the discharge activity and inhibits the self-discharge of Mg-0.15Ca anode, leading to negative average potential and high anodic utilization efficiency. Accordingly, 0.2 M 2,6-DHB is determined as the most suitable electrolyte concentration and applied during Mg-air battery tests based on diverse commercial Mg anodes (pure Mg, Mg-0.15Ca, AZ31 and AM50). The results demonstrate that 2,6-DHB efficiently improves the discharge performance of Mg-air batteries with different Mg anodes.}, note = {Online available at: \url{https://doi.org/10.1016/j.cej.2021.132369} (DOI). Wang, L.; Snihirova, D.; Deng, M.; Vaghefinazari, B.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Enhancement of discharge performance for aqueous Mg-air batteries in 2;6-dihydroxybenzoate-containing electrolyte. Chemical Engineering Journal. 2022. vol. 429, 132369. DOI: 10.1016/j.cej.2021.132369}} @misc{dou_insight_into_2022, author={Dou, Z., Zhang, Y., Shulha, T., Cui, R., Serdechnova, M., Tian, H., Yan, T., Blawert, C., Li, L., Zheludkevich, M.L., Chen, F.}, title={Insight into chelating agent stimulated in-situ growth of MgAl-LDH films on magnesium alloy AZ31: The effect of initial cationic concentrations}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2022.128414}, abstract = {A strategy based on chelating agent addition was used to assist the in-situ growth of MgAl-layered double hydroxides (LDHs) films on magnesium alloy AZ31 in a relatively mild condition. The growth behavior of MgAl-LDH films was studied on the magnesium alloy AZ31 substrate as the sole source of Al3+ and/or adding aluminum compounds as a supplementary source of respective ions. The composition, structure, corrosion resistance, and formation mechanism of LDH films were investigated and discussed. Results showed that the LDH-coated samples could effectively retard the corrosion of magnesium alloy. A thicker Mg (OH)2/MgAl-LDH composite film with larger flake size was formed without additional aluminum source. MgAl-LDH film fabricated with moderate additional Al3+ concentrations showed better corrosion resistance and an interesting stable network structure on a flat surface both covered/consisting of very fine LDH flakes.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2022.128414} (DOI). Dou, Z.; Zhang, Y.; Shulha, T.; Cui, R.; Serdechnova, M.; Tian, H.; Yan, T.; Blawert, C.; Li, L.; Zheludkevich, M.; Chen, F.: Insight into chelating agent stimulated in-situ growth of MgAl-LDH films on magnesium alloy AZ31: The effect of initial cationic concentrations. Surface and Coatings Technology. 2022. vol. 439, 128414. DOI: 10.1016/j.surfcoat.2022.128414}} @misc{vaghefinazari_exploring_the_2022, author={Vaghefinazari, B., Lamaka, S.V., Blawert, C., Serdechnova, M., Scharnagl, N., Karlova, P., Wieland, D.C.F., Zheludkevich, M.L.}, title={Exploring the corrosion inhibition mechanism of 8-hydroxyquinoline for a PEO-coated magnesium alloy}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2022.110344}, abstract = {In this study, the corrosion inhibition effect of 8-hydroxyquinoline (8HQ) on a PEO-coated AZ21 magnesium alloy is explored. The interaction of 8HQ molecules with both bare AZ21 and PEO layer was thoroughly scrutinized during the exposure to a corrosive NaCl electrolyte using different characterization methods, including EIS, SEM, Raman spectroscopy, and XRD. The corrosion inhibition mechanism stems from the extensive precipitation of the insoluble complex between 8HQ molecules and Mg2+ on top of the PEO layer, which leads to subsequently inhibition-enhancing phenomena, including modification of the corrosion products and re-precipitation of the PEO amorphous phase.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2022.110344} (DOI). Vaghefinazari, B.; Lamaka, S.; Blawert, C.; Serdechnova, M.; Scharnagl, N.; Karlova, P.; Wieland, D.; Zheludkevich, M.: Exploring the corrosion inhibition mechanism of 8-hydroxyquinoline for a PEO-coated magnesium alloy. Corrosion Science. 2022. vol. 203, 110344. DOI: 10.1016/j.corsci.2022.110344}} @misc{beraldo_new_relations_2022, author={Beraldo, C., Spinelli, A., Scharnagl, N., da Conceição, T.}, title={New relations between modification degree, swelling and impedance in anticorrosion chitosan-derivative coatings on magnesium alloy AZ31}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.carbpol.2022.119617}, abstract = {Environmentally friendly coatings of chitosan-derivatives with natural aldehydes were investigated for corrosion protection of magnesium AZ31 alloy. The derivatives were characterized using FTIR and UV–Vis, and the swelling degree of their films was determined in 3.5 wt% NaCl solution. The coated samples were characterized using scanning electron microscopy, potentiodynamic polarization and electrochemical impedance spectroscopy. The results indicated that, as the modification degree increases, the corrosion current density and the swelling degree decrease, whereas the impedance modulus increases. For the first time it was proposed relations between |Z| and swelling with the modification degree.}, note = {Online available at: \url{https://doi.org/10.1016/j.carbpol.2022.119617} (DOI). Beraldo, C.; Spinelli, A.; Scharnagl, N.; da Conceição, T.: New relations between modification degree, swelling and impedance in anticorrosion chitosan-derivative coatings on magnesium alloy AZ31. Carbohydrate Polymers. 2022. vol. 292, 119617. DOI: 10.1016/j.carbpol.2022.119617}} @misc{gazenbiller_computational_damage_2022, author={Gazenbiller, E., Mansoor, S., Konchakova, N., Serdechnova, M., Zheludkevich, M.L., Blawert, C., Höche, D.}, title={Computational damage modelling of PEO coated extruded magnesium tested in slow strain rate configuration}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2022.128758}, abstract = {Mechanical damage induced failure within protective coatings is one of the main reasons for loss of coating integrity. Thus, for applicability of any coating and sealing technology it is mandatory to know the stress/strain levels at which mechanical component failure will occur and it is important to understand which physical entities drive damage initiation and propagation. Within this work a model has been developed which allows correlating and study the effect of brittle porous coatings on the stress-strain curve evolution of plasma electrolytic oxidation (PEO) coated extruded Mg substrates. This is a great benefit as deriving material laws might be challenging since measured stress-strain relationships are a convolution of substrate and coating material contribution. The approach is based on a damage model which allows distinguishing between the substrate contribution model as a bulk body described by dedicated material laws, and the brittle coating contribution mathematically modelled as a boundary condition. The effect of coating thickness, the resulting steady state crack spacing and the contribution of coating porosity on the stress-strain curve is shown. The approach allows direct estimation of PEO coating barrier properties from slow-strain rate tensile testing.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2022.128758} (DOI). Gazenbiller, E.; Mansoor, S.; Konchakova, N.; Serdechnova, M.; Zheludkevich, M.; Blawert, C.; Höche, D.: Computational damage modelling of PEO coated extruded magnesium tested in slow strain rate configuration. Surface and Coatings Technology. 2022. vol. 446, 128758. DOI: 10.1016/j.surfcoat.2022.128758}} @misc{kapon_development_of_2022, author={Kapłon, H., Blawert, C., Chęcmanowski, J., Naplocha, K.}, title={Development of open-porosity magnesium foam produced by investment casting}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2022.01.003}, abstract = {High-porosity, open-cell AZ91 magnesium alloy foams of two pore sizes were fabricated by means of investment casting technology, using PUR foam patterns. Foam casting variables such as pressure, mould temperature and metal pouring temperature were thoroughly investigated to define the most optimal casting conditions. The mechanical properties of the fabricated foams were measured in compression tests. A potential application for the foams considered is temporary bioresorbable bone implants, therefore the mechanical properties of the foams were compared with those of cancellous bone tissue. Foams with smaller pore size and lower porosity (20 PPI and 80%–87%) exhibited mechanical properties in the lower regions of the cancellous bone property range (Young's modulus 36.5–77.5 MPa), while foams with higher pore size and porosity (10 PPI and ∼90%) were found to have insufficient compression strength (Young's modulus 11.65–23.8), but thickening their walls and lowering their porosity below 90% yielded foams with Young's modulus between 36.5 and 77.5 MPa. Foam fractures were also investigated to determine their collapse mechanism. A series of corrosion tests in stimulated body fluid was carried out to determine their applicability as a biomaterial. The Plasma Electrolytic Oxidation (PEO) process was used in a feasibility study to examine the microstructure and chemical composition of foams with protective coating.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2022.01.003} (DOI). Kapłon, H.; Blawert, C.; Chęcmanowski, J.; Naplocha, K.: Development of open-porosity magnesium foam produced by investment casting. Journal of Magnesium and Alloys. 2022. vol. 10, no. 7, 1941-1956. DOI: 10.1016/j.jma.2022.01.003}} @misc{jangde_role_of_2022, author={Jangde, A., Kumar, S., Blawert, C.}, title={Role of glycerine on formation & corrosion characteristic of PEO layer formed over Mg alloy in a high-concentrated mixed silicate-phosphate-based electrolyte}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2022.128971}, abstract = {PEO coatings on AM50 magnesium alloy were synthesized under constant current mode exploiting high-concentrated mixed silicate-phosphate-based alkaline electrolyte with and without glycerine as an additive, i.e., gmix-PEO and bmix-PEO respectively. The development of PEO coatings was studied as a function of PEO treatment time for their microstructures, element compositions, phase compositions, and corrosion behaviour. For all the treatment times, gmix-PEO exhibited relatively smaller pores and lower coating thickness than bmix-PEO. The elemental composition of PEO coatings was independent of PEO processing time for both bmix-PEO and gmix-PEO. Throughout PEO processing the incorporation of Si was considerably higher than P into the synthesized coatings. MgO and Mg2SiO4 crystalline phase content was higher for gmix-PEO compared to bmix-PEO for all the treatment times studied. A complex amorphous oxide phase was observed from 4 min PEO treatment time for bmix-PEO while glycerine addition delayed the formation of the same. The study of electrochemical behaviour revealed improved corrosion performance of gmix-PEO particularly during initial immersion (up to 25 h) time for up to 4 min PEO treatment time than for bmix-PEO as glycerine addition leads to higher MgO and Mg2SiO4 phase content and thicker/compact inner barrier layer. For the final 8 min PEO processing time, bmix-PEO offered enhanced corrosion performance particularly due to its thicker coating compared to gmix-PEO.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2022.128971} (DOI). Jangde, A.; Kumar, S.; Blawert, C.: Role of glycerine on formation & corrosion characteristic of PEO layer formed over Mg alloy in a high-concentrated mixed silicate-phosphate-based electrolyte. Surface and Coatings Technology. 2022. vol. 450, 128971. DOI: 10.1016/j.surfcoat.2022.128971}} @misc{zhou_tailoring_corrosion_2022, author={Zhou, Y., Lu, X., Zheludkevich, M., Wang, F.}, title={Tailoring corrosion and discharge performance of Mg anode by corrosion inhibitor}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.electacta.2022.141471}, abstract = {The effect of various amounts of 5-sulfosalicylic acid (SSA) on the corrosion and discharge property of pure magnesium (Mg) is studied systematically. It was found that SSA plays a vital role in regulating the dissolution kinetics of the substrate and re-deposition rate of discharge product at the metal/electrolyte interface. Low concentration of SSA can be used as corrosion inhibitor for active Mg surface as it chelates with impurity element (Fe3+), while high concentration of SSA increases dissolution rate of Mg since large amount of SSA also acts as complexing agent for the dissolved Mg2+. In terms of discharge performance, addition of 0.1 M SSA improves the utilization efficiency and lowers the discharge potential in the meanwhile under different current densities. The anode demonstrates low and stable discharge potential (-1.83 V) for 10 h at 2.5 mA cm−2 in SSA containing electrolyte. Localized corrosion of the substrate has been significantly facilitated during discharge test. “Thorn-like effect” has been observed for the first time for Mg with addition of complexing agent.}, note = {Online available at: \url{https://doi.org/10.1016/j.electacta.2022.141471} (DOI). Zhou, Y.; Lu, X.; Zheludkevich, M.; Wang, F.: Tailoring corrosion and discharge performance of Mg anode by corrosion inhibitor. Electrochimica Acta. 2022. vol. 436, 141471. DOI: 10.1016/j.electacta.2022.141471}} @misc{wierzbicka_chromatefree_corrosion_2022, author={Wierzbicka, E., Vaghefinazari, B., Mohedano, M., Visser, P., Posner, R., Blawert, C., Zheludkevich, M., Lamaka, S., Matykina, E., Arrabal, R.}, title={Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: Part II—PEO and Anodizing}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.3390/ma15238515}, abstract = {Although hexavalent chromium-based protection systems are effective and their long-term performance is well understood, they can no longer be used due to their proven Cr(VI) toxicity and carcinogenic effect. The search for alternative protection technologies for Mg alloys has been going on for at least a couple of decades. However, surface treatment systems with equivalent efficacies to that of Cr(VI)-based ones have only begun to emerge much more recently. It is still proving challenging to find sufficiently protective replacements for Cr(VI) that do not give rise to safety concerns related to corrosion, especially in terms of fulfilling the requirements of the transportation industry. Additionally, in overcoming these obstacles, the advantages of newly introduced technologies have to include not only health safety but also need to be balanced against their added cost, as well as being environmentally friendly and simple to implement and maintain. Anodizing, especially when carried out above the breakdown potential (technology known as Plasma Electrolytic Oxidation (PEO)) is an electrochemical oxidation process which has been recognized as one of the most effective methods to significantly improve the corrosion resistance of Mg and its alloys by forming a protective ceramic-like layer on their surface that isolates the base material from aggressive environmental agents. Part II of this review summarizes developments in and future outlooks for Mg anodizing, including traditional chromium-based processes and newly developed chromium-free alternatives, such as PEO technology and the use of organic electrolytes. This work provides an overview of processing parameters such as electrolyte composition and additives, voltage/current regimes, and post-treatment sealing strategies that influence the corrosion performance of the coatings. This large variability of the fabrication conditions makes it possible to obtain Cr-free products that meet the industrial requirements for performance, as expected from traditional Cr-based technologies.}, note = {Online available at: \url{https://doi.org/10.3390/ma15238515} (DOI). Wierzbicka, E.; Vaghefinazari, B.; Mohedano, M.; Visser, P.; Posner, R.; Blawert, C.; Zheludkevich, M.; Lamaka, S.; Matykina, E.; Arrabal, R.: Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: Part II—PEO and Anodizing. Materials. 2022. vol. 15, no. 23, 8515. DOI: 10.3390/ma15238515}} @misc{wu_role_of_2022, author={Wu, T., Blawert, C., Serdechnova, M., Karlova, P., Dovzhenko, G., Florian Wieland, D.C., Stojadinovic, S., Vasilic, R., Wang, L., Wang, C., Mojsilovic, K., Zheludkevich, M.L.}, title={Role of phosphate, silicate and aluminate in the electrolytes on PEO coating formation and properties of coated Ti6Al4V alloy}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.apsusc.2022.153523}, abstract = {A comparison of PEO layers on Ti6Al4V alloy formed in phosphate, aluminate and silicate-based electrolytes respectively, has been made to reveal the influence of the electrolyte composition on the formation process. The phosphate-based electrolyte has been identified as the most promising one as it has the best coating formation efficiency and the lowest breakdown voltage. On the bases of the microstructure and elemental/phase analysis of the different PEO coatings, it could be observed that the PEO coating formed in phosphate-based electrolyte is mainly composed of anatase and rutile. An amorphous phase is dominant in the coating produced in silicate-based electrolyte. Moreover, there are mainly γ-Al2O3, Na2Al2xO3x+1 and TiAl2O5 present in the coating formed in the aluminate-based electrolyte. The coating formation process in silicate- and aluminate-based electrolytes is more dependent on the deposition originating from the electrolytes. All of the coatings have shown noticeable corrosion resistance and good performance in the photocatalytic test as the degradation rates of methyl orange higher than 45 %. Thus, multifunctional PEO coatings on Ti6Al4V alloy are obtained.}, note = {Online available at: \url{https://doi.org/10.1016/j.apsusc.2022.153523} (DOI). Wu, T.; Blawert, C.; Serdechnova, M.; Karlova, P.; Dovzhenko, G.; Florian Wieland, D.; Stojadinovic, S.; Vasilic, R.; Wang, L.; Wang, C.; Mojsilovic, K.; Zheludkevich, M.: Role of phosphate, silicate and aluminate in the electrolytes on PEO coating formation and properties of coated Ti6Al4V alloy. Applied Surface Science. 2022. vol. 595, 153523. DOI: 10.1016/j.apsusc.2022.153523}} @misc{vaghefinazari_chromatefree_corrosion_2022, author={Vaghefinazari, B., Wierzbicka, E., Visser, P., Posner, R., Arrabal, R., Matykina, E., Mohedano, M., Blawert, C., Zheludkevich, M.L., Lamaka, S.V.}, title={Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: Part III—Corrosion Inhibitors and Combining Them with Other Protection Strategies}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.3390/ma15238489}, abstract = {Owing to the unique active corrosion protection characteristic of hexavalent chromium-based systems, they have been projected to be highly effective solutions against the corrosion of many engineering metals. However, hexavalent chromium, rendered a highly toxic and carcinogenic substance, is being phased out of industrial applications. Thus, over the past few years, extensive and concerted efforts have been made to develop environmentally friendly alternative technologies with comparable or better corrosion protection performance to that of hexavalent chromium-based technologies. The introduction of corrosion inhibitors to a coating system on magnesium surface is a cost-effective approach not only for improving the overall corrosion protection performance, but also for imparting active inhibition during the service life of the magnesium part. Therefore, in an attempt to resemble the unique active corrosion protection characteristic of the hexavalent chromium-based systems, the incorporation of inhibitors to barrier coatings on magnesium alloys has been extensively investigated. In Part III of the Review, several types of corrosion inhibitors for magnesium and its alloys are reviewed. A discussion of the state-of-the-art inhibitor systems, such as iron-binding inhibitors and inhibitor mixtures, is presented, and perspective directions of research are outlined, including in silico or computational screening of corrosion inhibitors. Finally, the combination of corrosion inhibitors with other corrosion protection strategies is reviewed. Several reported highly protective coatings with active inhibition capabilities stemming from the on-demand activation of incorporated inhibitors can be considered a promising replacement for hexavalent chromium-based technologies, as long as their deployment is adequately addressed.}, note = {Online available at: \url{https://doi.org/10.3390/ma15238489} (DOI). Vaghefinazari, B.; Wierzbicka, E.; Visser, P.; Posner, R.; Arrabal, R.; Matykina, E.; Mohedano, M.; Blawert, C.; Zheludkevich, M.; Lamaka, S.: Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: Part III—Corrosion Inhibitors and Combining Them with Other Protection Strategies. Materials. 2022. vol. 15, no. 23, 8489. DOI: 10.3390/ma15238489}} @misc{chen_formation_of_2022, author={Chen, Q., Lu, X., Serdechnova, M., Wang, C., Lamaka, S., Blawert, C., Zheludkevich, M.L., Wang, F.}, title={Formation of self-healing PEO coatings on AM50 Mg by in-situ incorporation of zeolite micro-container}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2022.110785}, abstract = {Ce3+ ions containing zeolite microparticles were in-situ incorporated into plasma electrolytic oxidation (PEO) coating to provide self-healing property for AM50 Mg alloy. It was found that the Ce3+ ions can be released from the inertly incorporated zeolite microparticles via ion-exchange as well as from dissolved coating material which contains high concentration of reactively incorporated zeolites when corrosion occurs, leading to improved corrosion resistance of the oxide layer in 0.5 wt% NaCl solution. The newly formed cerium hydroxides/oxides when corrosion occurs can stabilize and enhance the barrier property of the passive film at metal/coating interface.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2022.110785} (DOI). Chen, Q.; Lu, X.; Serdechnova, M.; Wang, C.; Lamaka, S.; Blawert, C.; Zheludkevich, M.; Wang, F.: Formation of self-healing PEO coatings on AM50 Mg by in-situ incorporation of zeolite micro-container. Corrosion Science. 2022. vol. 209, 110785. DOI: 10.1016/j.corsci.2022.110785}} @misc{oliveira_atomic_layer_2022, author={Oliveira, M.P., Silva, R.M., Yasakau, K.A., Bastos, A., Kallip, S., Zheludkevich, M.L., Silva, R.F., Ferreira, M.G.S.}, title={Atomic layer deposition of nanometric alumina for corrosion protection of heterogeneous metallic surfaces – The case of aeronautical grade aluminium alloy 2024-T3}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2022.110773}, abstract = {Nanometric layers of Al2O3 were applied by atomic layer deposition (ALD) on 2024-T3 aluminium alloy. The ALD layers suppressed the corrosion of the alloy as confirmed by Scanning Kelvin Probe Force Microscopy (SKPFM), polarization curves and Electrochemical Impedance Spectroscopy (EIS). The protection provided by the ALD layers weakened with the time of immersion and this was attributed to the incorporation of hydroxyl species in the film during the deposition at low temperature (100 °C) making them vulnerable to water.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2022.110773} (DOI). Oliveira, M.; Silva, R.; Yasakau, K.; Bastos, A.; Kallip, S.; Zheludkevich, M.; Silva, R.; Ferreira, M.: Atomic layer deposition of nanometric alumina for corrosion protection of heterogeneous metallic surfaces – The case of aeronautical grade aluminium alloy 2024-T3. Corrosion Science. 2022. vol. 209, 110773. DOI: 10.1016/j.corsci.2022.110773}} @misc{karlova_comparison_of_2022, author={Karlova, P., Serdechnova, M., Blawert, C., Lu, X., Mohedano, M., Tolnai, D., Zeller-Plumhoff, B., Zheludkevich, M.L.}, title={Comparison of 2D and 3D Plasma Electrolytic Oxidation (PEO)-Based Coating Porosity Data Obtained by X-ray Tomography Rendering and a Classical Metallographic Approach}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.3390/ma15186315}, abstract = {In this work, the porosity of plasma electrolytic oxidation (PEO)-based coatings on Al- and Mg-based substrates was studied by two imaging techniques—namely, SEM and computer microtomography. Two approaches for porosity determination were chosen; relatively simple and fast SEM surface and cross-sectional imaging was compared with X-ray micro computed tomography (microCT) rendering. Differences between 2D and 3D porosity were demonstrated and explained. A more compact PEO coating was found on the Al substrate, with a lower porosity compared to Mg substrates under the same processing parameters. Furthermore, huge pore clusters were detected with microCT. Overall, 2D surface porosity calculations did not show sufficient accuracy for them to become the recommended method for the exact evaluation of the porosity of PEO coatings; microCT is a more appropriate method for porosity evaluation compared to SEM imaging. Moreover, the advantage of 3D microCT images clearly lies in the detection of closed and open porosity, which are important for coating properties.}, note = {Online available at: \url{https://doi.org/10.3390/ma15186315} (DOI). Karlova, P.; Serdechnova, M.; Blawert, C.; Lu, X.; Mohedano, M.; Tolnai, D.; Zeller-Plumhoff, B.; Zheludkevich, M.: Comparison of 2D and 3D Plasma Electrolytic Oxidation (PEO)-Based Coating Porosity Data Obtained by X-ray Tomography Rendering and a Classical Metallographic Approach. Materials. 2022. vol. 15, no. 18, 6315. DOI: 10.3390/ma15186315}} @misc{wrger_datadriven_selection_2022, author={Würger, T., Wang, L., Snihirova, D., Deng, M., Lamaka, S., Winkler, D., Höche, D., Zheludkevich, M., Meißner, R., Feiler, C.}, title={Data-driven Selection of Electrolyte Additives for Aqueous Magnesium Batteries}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1039/D2TA04538A}, abstract = {Aqueous primary Mg-air batteries have considerable potential as energy sources for sea applications and portable devices. However, some challenges at the anode-electrolyte interface related to self-corrosion, aging of the electrolyte and the chunk-effect have to be solved to improve the discharge potential of the battery as well as the utilization efficiency of the anode material. Aside from alloying, an effective strategy to mitigate self-corrosion and battery failure is the use of electrolyte additives. Selecting useful additives from the vast chemical space of possible compounds is not a trivial task. Fortunately, data-driven quantitative structure-property relationship (QSPR) models can facilitate efficient searches for promising battery booster candidates. Here, the robustness and predictive performance of two QSPR models are evaluated using an active design of experiments approach. We also present a multi-objective optimization method that allows to identify new electrolyte additives that can boost the battery anode performance with respect to a target application, thus accelerating the discovery of advanced battery systems.}, note = {Online available at: \url{https://doi.org/10.1039/D2TA04538A} (DOI). Würger, T.; Wang, L.; Snihirova, D.; Deng, M.; Lamaka, S.; Winkler, D.; Höche, D.; Zheludkevich, M.; Meißner, R.; Feiler, C.: Data-driven Selection of Electrolyte Additives for Aqueous Magnesium Batteries. Journal of Materials Chemistry A. 2022. vol. 10, no. 40, 21672-21682. DOI: 10.1039/D2TA04538A}} @misc{bozovic_oxide_coatings_2022, author={Bozovic, N., Mojsilovic, K., Stojanovic, S., Damjanovic-Vasilic, L., Serdechnova, M., Blawert, C., Zheludkevich, M., Stojadinovic, S., Vasilic, R.}, title={Oxide coatings with immobilized Ce-ZSM5 as visible light photocatalysts}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.2298/JSC211203058B}, abstract = {The preparation and properties of oxide coatings with immobilized ZSM-5 zeolite obtained by plasma electrolytic oxidation on aluminum support were investigated and discussed. Pure and Ce-exchanged ZSM-5 were immo-bilized on aluminum supports from a silicate-based electrolyte under ultra-low duty cycle pulsed direct current conditions. The obtained composite coatings were characterized with respect to their morphology, phase and chemical com-position, as well as photocatalytic activity and anti-corrosion properties. All mentioned properties of the obtained coatings were dependent on the processing time. The coatings with Ce-exchanged ZSM-5 showed higher photocatalytic activity and more effective corrosion protection than those with pure ZSM-5. The highest photocatalytic activity was observed for coatings processed for 30 min. It is suggested that the surface morphology, Ce-content and number of defects influenced the photocatalytic activity of the composite coatings.}, note = {Online available at: \url{https://doi.org/10.2298/JSC211203058B} (DOI). Bozovic, N.; Mojsilovic, K.; Stojanovic, S.; Damjanovic-Vasilic, L.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.; Stojadinovic, S.; Vasilic, R.: Oxide coatings with immobilized Ce-ZSM5 as visible light photocatalysts. Journal of the Serbian Chemical Society. 2022. vol. 87, no. 9, 1035-1048. DOI: 10.2298/JSC211203058B}} @misc{wang_sustainable_aqueous_2022, author={Wang, L., Snihirova, D., Deng, M., Vaghefinazari, B., Xu, W., Höche, D., Lamaka, S.V., Zheludkevich, M.L.}, title={Sustainable aqueous metal-air batteries: An insight into electrolyte system}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ensm.2022.08.032}, abstract = {To meet the growing demand for sustainable and endurable energy sources, various novel energy conversion and storage systems have emerged and been developed rapidly over the last decades. Aqueous metal-air batteries have aroused much interest owing to their superior energy density, exceptional reliability, and environmental benignity. Nevertheless, the practical discharge performance of aqueous metal-air batteries is far below that desired. In comparison to the electrode materials design with much effort, relatively minor attention has been paid to the development of electrolyte systems, which undoubtedly is crucial for battery properties. In order to stimulate and promote the development of electrolyte systems for high-performance aqueous metal-air batteries, in-depth insight into the working mechanism of aqueous metal-air batteries and recent advances on electrolytes development are presented in this work. The critical issues that conventional aqueous Zn-air, Al-air, and Mg-air batteries are confronted with are thoroughly discussed, whilst some facile solutions via electrolyte modification recently proposed in the literature are reviewed. An outlook on future research into electrolyte systems for aqueous metal-air batteries is proposed.}, note = {Online available at: \url{https://doi.org/10.1016/j.ensm.2022.08.032} (DOI). Wang, L.; Snihirova, D.; Deng, M.; Vaghefinazari, B.; Xu, W.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Sustainable aqueous metal-air batteries: An insight into electrolyte system. Energy Storage Materials. 2022. vol. 52, 573-597. DOI: 10.1016/j.ensm.2022.08.032}} @misc{vaghefinazari_chromatefree_corrosion_2022, author={Vaghefinazari, B., Wierzbicka, E., Visser, P., Posner, R., Arrabal, R., Matykina, E., Mohedano, M., Blawert, C., Zheludkevich, M., Lamaka, S.}, title={Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: PART I—Pre-Treatment and Conversion Coating}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.3390/ma15238676}, abstract = {Corrosion protection systems based on hexavalent chromium are traditionally perceived to be a panacea for many engineering metals including magnesium alloys. However, bans and strict application regulations attributed to environmental concerns and the carcinogenic nature of hexavalent chromium have driven a considerable amount of effort into developing safer and more environmentally friendly alternative techniques that provide the desired corrosion protection performance for magnesium and its alloys. Part I of this review series considers the various pre-treatment methods as the earliest step involved in the preparation of Mg surfaces for the purpose of further anti-corrosion treatments. The decisive effect of pre-treatment on the corrosion properties of both bare and coated magnesium is discussed. The second section of this review covers the fundamentals and performance of conventional and state-of-the-art conversion coating formulations including phosphate-based, rare-earth-based, vanadate, fluoride-based, and LDH. In addition, the advantages and challenges of each conversion coating formulation are discussed to accommodate the perspectives on their application and future development. Several auspicious corrosion protection performances have been reported as the outcome of extensive ongoing research dedicated to the development of conversion coatings, which can potentially replace hazardous chromium(VI)-based technologies in industries.}, note = {Online available at: \url{https://doi.org/10.3390/ma15238676} (DOI). Vaghefinazari, B.; Wierzbicka, E.; Visser, P.; Posner, R.; Arrabal, R.; Matykina, E.; Mohedano, M.; Blawert, C.; Zheludkevich, M.; Lamaka, S.: Chromate-Free Corrosion Protection Strategies for Magnesium Alloys—A Review: PART I—Pre-Treatment and Conversion Coating. Materials. 2022. vol. 15, no. 23, 8676. DOI: 10.3390/ma15238676}} @misc{dreistadt_an_effective_2022, author={Dreistadt, D., Le, T., Capurso, G., Bellosta von Colbe, J., Santhosh, A., Pistidda, C., Scharnagl, N., Ovri, H., Milanese, C., Jerabek, P., Klassen, T., Jepsen, J.}, title={An effective activation method for industrially produced TiFeMn powder for hydrogen storage}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jallcom.2022.165847}, abstract = {This work proposes an effective thermal activation method with low technical effort for industrially produced titanium-iron-manganese powders (TiFeMn) for hydrogen storage. In this context, the influence of temperature and particle size of TiFeMn on the activation process is systematically studied. The results obtained from this investigation suggest that the activation of the TiFeMn material at temperatures as low as 50 °C is already possible, with a combination of “Dynamic” and “Static” routines, and that an increase to 90 °C strongly reduces the incubation time for activation, i.e. the incubation time of the sample with the two routines at 90 °C is about 0.84 h, while ∼ 277 h is required for the sample treated at 50 °C in both “Dynamic” and “Static” sequences. Selecting TiFeMn particles of larger size also leads to significant improvements in the activation performance of the investigated material. The proposed activation routine makes it possible to overcome the oxide layer existing on the compound surface, which acts as a diffusion barrier for the hydrogen atoms. This activation method induces further cracks and defects in the powder granules, generating new surfaces for hydrogen absorption with greater frequency, and thus leading to faster sorption kinetics in the subsequent absorption-desorption cycles.}, note = {Online available at: \url{https://doi.org/10.1016/j.jallcom.2022.165847} (DOI). Dreistadt, D.; Le, T.; Capurso, G.; Bellosta von Colbe, J.; Santhosh, A.; Pistidda, C.; Scharnagl, N.; Ovri, H.; Milanese, C.; Jerabek, P.; Klassen, T.; Jepsen, J.: An effective activation method for industrially produced TiFeMn powder for hydrogen storage. Journal of Alloys and Compounds. 2022. vol. 919, 165847. DOI: 10.1016/j.jallcom.2022.165847}} @misc{xu_a_mathematical_2022, author={Xu, W., Snihirova, D., Deng, M., Wang, L., Vaghefinazari, B., Wang, C., Lamaka, S.V., Zheludkevich, M.L., Höche, D.}, title={A mathematical model describing the surface evolution of Mg anode during discharge of aqueous Mg-air battery}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jpowsour.2022.231745}, abstract = {A numerical model is developed, aiming to understand and describe anode dissolution behavior and respective interface effects at an Mg-0.1Ca anode during discharge within an aqueous magnesium-air battery (MAB). In this model, the negative difference effect (NDE) that impairs the performance (e.g. utilization efficiency and capacity) of the anode is considered by adding a linear semi-empirical equation to calculate the total dissolution current density responsible for the dissolution of the Mg-0.1Ca anode. The proposed model is capable of predicting the effect of Mg(OH)2 deposit on the discharge process by consideration of surface coverage, layer thickness, and deposit porosity. In addition, the model can track the pH changes within electrolyte nearby the anode surface during discharge processes. The simulation results representing the development of local pH and the thickness of the deposited layer are validated by corresponding experimental measurements and are in good agreement with the experimental findings.}, note = {Online available at: \url{https://doi.org/10.1016/j.jpowsour.2022.231745} (DOI). Xu, W.; Snihirova, D.; Deng, M.; Wang, L.; Vaghefinazari, B.; Wang, C.; Lamaka, S.; Zheludkevich, M.; Höche, D.: A mathematical model describing the surface evolution of Mg anode during discharge of aqueous Mg-air battery. Journal of Power Sources. 2022. vol. 542, 231745. DOI: 10.1016/j.jpowsour.2022.231745}} @misc{galvao_cordata_an_2022, author={Galvao, T., Farreira, I., Kuznetsova, A., Novell-Leruth, G., Song, C., Feiler, C., Lamaka, S., Rocha, C., Maia, F., Zheludkevich, M., Gomes, J., Tedim, J.}, title={CORDATA: an open data management web application to select corrosion inhibitors}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-022-00259-9}, abstract = {The ban of one of industry’s main solutions against corrosion, i.e. compounds based on hexavalent chromium1, has recently started in Europe due to health and environmental issues, resulting in a need to find effective replacements2. The large and growing amounts of reported corrosion inhibition efficiencies existing in literature and obtained over the years as a result of this event is expected to keep increasing in volume. Moreover, the development of high-throughput testing methodologies3,4,5,6,7,8, has allowed to obtain significant databases in shorter timeframes for different substrates, application conditions and molecular structures3,9,10. This has called for the development of a data driven application, such as the one developed in this work, which will allow academic and industry researchers to swiftly select the most adequate condition specific corrosion inhibitor to be embedded directly into protective coating systems or through smart nanocontainers. We envision the CORDATA app to be the first step in the corrosion inhibitor selection process before going to the laboratory to perform further research and development activities. Although there are many accounts in literature focusing on corrosion inhibition efficiencies, to the best of our knowledge, this is the first web application dealing with data management for this particular issue. It allows to more efficiently compare many different data sources at the same time, thus making it easier to find appropriate solutions that were already tested experimentally, but that might be lost in the middle of a large volume of experimental data obtained in the past. Moreover, the dynamic nature of a data management web application, will allow it to grow in size and evolve in functionality throughout the years, adapting to the needs of the corrosion science community to better solve societal challenges through open data.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-022-00259-9} (DOI). Galvao, T.; Farreira, I.; Kuznetsova, A.; Novell-Leruth, G.; Song, C.; Feiler, C.; Lamaka, S.; Rocha, C.; Maia, F.; Zheludkevich, M.; Gomes, J.; Tedim, J.: CORDATA: an open data management web application to select corrosion inhibitors. npj Materials Degradation. 2022. vol. 6, 48. DOI: 10.1038/s41529-022-00259-9}} @misc{perevoznikov_microstructure_composition_2022, author={Perevoznikov, S., Tsybulskaya, L., Shendyukov, V., Scharnagl, N.}, title={Microstructure, composition and formation mechanism of ultra-black surfaces on the electrodeposited nickel-phosphorous coatings}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfin.2022.102127}, abstract = {Light absorbing materials are of practical importance in the production of optical devices in aerospace technology. A new method of light absorbing coatings preparation on the basis of electrodeposited nickel-phosphorus coatings has been proposed. Modification of the electrolyte for nickel-phosphorus plating by the addition of saccharine allowed preparing an ultrablack surface with a reflectance coefficient less than 0.5%. Chemical composition of both surfaces has been studied using X-ray photoelectron spectroscopy. The mechanism of their formation has been proposed. It has been found that etching in nitric acid leads to the partial oxidation of both surfaces with the formation of needle like microstructure.It also results in surface enrichment with phosphorus and formation of nickel phosphides particles of the variable composition. Products of the coating oxidation represent the matrix of amorphous nickel polyphosphates and polyphosphoric acids where fine Ni-P particles are distributed. Such composite structure is a well light absorbing medium. Formation of hypophosphite protective layer on the Ni–P coating obtained from saccharin free electrolyte reduces the thickness of light absorbing layer and changes its composition. Thus light absorbance ability of the coatings can be caused by both distribution of fine nickel-phosphorus particles in dielectric matrix and specific microstructure of their surfaces.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfin.2022.102127} (DOI). Perevoznikov, S.; Tsybulskaya, L.; Shendyukov, V.; Scharnagl, N.: Microstructure, composition and formation mechanism of ultra-black surfaces on the electrodeposited nickel-phosphorous coatings. Surfaces and Interfaces. 2022. vol. 32, 102127. DOI: 10.1016/j.surfin.2022.102127}} @misc{konakov_effect_of_2022, author={Konakov, A., Vorobyova, T., Maltanava, H., Scharnagl, N., Dremova, N.}, title={Effect of tin dioxide sol on the peculiarities of electrodeposition and structure of copper and nickel coatings}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfin.2022.102054}, abstract = {Tin dioxide sol is proposed as the additive in weakly alkaline diphosphate copper and nickel plating electrolytes which provides the deposition on the carbon steel of fine-grained and close-packed coatings with the increased protective ability. It is revealed that nanoparticles of this sol have sizes of 2–5 nm, consist of the SnO2 core and SnO2–x(OH)2x shell, are stabilized to coagulation and dissolution in the electrolytes with the adsorbed copper or nickel diphosphate complex ions, and carry a charge of –(38–42) mV at the pH of the electrolytes within 8.2–8.6. They adsorb both on the initial substrate and on the surface of the growing coating, thus performing the function of nucleation centers in the process of copper and nickel electrodeposition. This happens under certain conditions, which include direct current density of 1.0 A/dm2 and tin dioxide concentration in the electrolyte of 0.5 g/dm3. In these conditions SnO2 sol does not affect the rate of deposition equal to 7−13 μm/h and current efficiency of 68−97%. Tin dioxide has not been detected inside copper and nickel coatings.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfin.2022.102054} (DOI). Konakov, A.; Vorobyova, T.; Maltanava, H.; Scharnagl, N.; Dremova, N.: Effect of tin dioxide sol on the peculiarities of electrodeposition and structure of copper and nickel coatings. Surfaces and Interfaces. 2022. vol. 32, 102054. DOI: 10.1016/j.surfin.2022.102054}} @misc{du_in_vitro_2022, author={Du, P., Mei, D., Furushima, T., Zhu, S., Wang, L., Zhou, Y., Guan, S.}, title={In vitro corrosion properties of HTHEed Mg-Zn-Y-Nd alloy microtubes for stent applications: Influence of second phase particles and crystal orientation}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2020.12.015}, abstract = {Magnesium (Mg) alloys are promising materials for cardiovascular stent applications due to their good biocompatibility and biodegradability. However, in vitro and in vivo corrosion tests reveal that Mg alloy stents suffer from a rapid corrosion rate and severe localized corrosion, which is limiting their widespread application. To solve the problem of uneven degradation of stents, a HTHE (long-time and high-temperature heat treatment, large-reduction-ratio hot extrusion) process is used to manufacture Mg-Zn-Y-Nd alloy microtubes in this study. The heat treatment is to dissolve alloying elements and reduce the size of SPPs, and the hot extrusion is to acquire fine-grained and strongly textured microtubes. The microstructural characterization shows that coarse second phases in as-cast alloy are refined and uniformly distributed in matrix of microtubes. After hot extrusion, microtubes show strong texture with basal plain oriented parallel to the longitudinal section (LS). The corrosion testing indicates that severe localized corrosion occurs on the cross section (CS) while localized corrosion is alleviated on the LS. Based on the different corrosion properties of the LS and CS, HTHEed microtubes are promising for solving the problems of rapid corrosion rate and severe localized corrosion of Mg alloy stents.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2020.12.015} (DOI). Du, P.; Mei, D.; Furushima, T.; Zhu, S.; Wang, L.; Zhou, Y.; Guan, S.: In vitro corrosion properties of HTHEed Mg-Zn-Y-Nd alloy microtubes for stent applications: Influence of second phase particles and crystal orientation. Journal of Magnesium and Alloys. 2022. vol. 10, no. 5, 1286-1295. DOI: 10.1016/j.jma.2020.12.015}} @misc{bouali_the_role_2022, author={Bouali, A.C., Serdechnova, M., Yasakau, K.A., Lutz, A., Wiese, G., Terryn, H., Ferreira, M.G.S., Zheludkevich, M.L.}, title={The Role of Cu-Based Intermetallic on the Direct Growth of a ZnAl LDH Film on AA2024}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1149/1945-7111/ac83f5}, abstract = {The direct ZnAl layered double hydroxide growth on AA2024 is a fast-occurring reaction, yet is characterized by an inhomogeneous film thickness. It has been shown that at the periphery of Cu-rich intermetallic, the flakes tend to be larger and denser. A combination of in situ and ex situ measurements were used to monitor the changes in the layered double hydroxide film grown on the regions of intermetallics. Immediately after immersion, an activation of the intermetallic phases is observed due to the dealloying process with an almost immediate film growth. Dealloying is followed by trenching of the adjacent Al matrix leading to an excessive production of large and dense layered double hydroxide flakes at the periphery of the intermetallic. However, the scanning electron microscopy cross-section images revealed that the trenching process leads to defects in the area surrounding the intermetallic. This could weaken the corrosion resistance performance of the layered double hydroxide conversion coating and lead to adhesion failure of consecutive polymer coatings. Nevertheless, this work highlights a few advantages and drawbacks of the layered double hydroxide conversion coatings and pathways to its potential optimization and improvement.}, note = {Online available at: \url{https://doi.org/10.1149/1945-7111/ac83f5} (DOI). Bouali, A.; Serdechnova, M.; Yasakau, K.; Lutz, A.; Wiese, G.; Terryn, H.; Ferreira, M.; Zheludkevich, M.: The Role of Cu-Based Intermetallic on the Direct Growth of a ZnAl LDH Film on AA2024. Journal of the Electrochemical Society. 2022. vol. 169, no. 8, 081501. DOI: 10.1149/1945-7111/ac83f5}} @misc{korrapati_bilayer_coatings_2022, author={Korrapati, V., Scharnagl, N., Letzig, D., Zheludkevich, M.}, title={Bilayer coatings for temporary and long–term corrosion protection of magnesium–AZ31 alloy}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.porgcoat.2021.106608}, abstract = {Phosphate and silane containing organic self–assembled (SA) layers serve as pre–treatments on magnesium alloy sheet materials. A reliable protection was achieved in this work via application of alkyd–based coatings on the pretreated surface. The idea of adopting SA pre–treatments as functional layers at metal–polymer interface is to influence the adhesive properties between solid metal substrate and alkyd–based coating. Hexadecyltrimethoxysilane (HDTMS) deposited metal surfaces exhibit stronger adhesive strength, while a near homogeneous distribution of the octadecylphosphonic acid (ODPA) and perfluorodecylphosphonic acid (PFDPA) exhibit low adhesive phenomenon, when placed as pre–layers in bilayer coatings. Electrochemical impedance results after 168 h of immersion reveal that the organophosphate and organosilane deposited bilayer films demonstrate protective properties with almost no interface defects. Moreover, organophosphate treated bilayer coatings enhance easy peeling of alkyd coat after protecting the surface from corrosive electrolytes. Bilayer coatings developed on AZ31 sheets can confer temporary or long–term corrosion protection depending on further processing strategy and offer efficient alloy protection for both purposes.}, note = {Online available at: \url{https://doi.org/10.1016/j.porgcoat.2021.106608} (DOI). Korrapati, V.; Scharnagl, N.; Letzig, D.; Zheludkevich, M.: Bilayer coatings for temporary and long–term corrosion protection of magnesium–AZ31 alloy. Progress in Organic Coatings. 2022. vol. 163, 106608. DOI: 10.1016/j.porgcoat.2021.106608}} @misc{knudsen_correlations_between_2022, author={Knudsen, O., Skilbred, A., Løken, A., Daneshian, B., Höche, D.}, title={Correlations between standard accelerated tests for protective organic coatings and field performance}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.mtcomm.2022.103729}, abstract = {Accelerated testing is widely used in development and pre-qualification of protective organic coatings. In this work 26 coating systems have been investigated in a 2-year C5 atmospheric exposure field test, ISO 9227 salt spray test, ISO 12944-9 cyclic ageing and ISO 16773 electrochemical impedance spectroscopy measurement of coating resistance. Of the 26 coating systems, 16 have epoxy mastic primers and 10 have zinc rich epoxy primers. In the field test, the zinc rich primer improved corrosion creep resistance from scribe by a factor of about 10. However, this is not reflected in any of the accelerated lab tests. The lab tests all show rather poor correlation to the field test with respect to corrosion creep. All the coatings had little corrosion creep from scribe in the field test, even the coating systems with epoxy mastic primers. The large focus on this parameter in coating pre-qualification testing, e.g. in ISO 12944-6 and 12944-9, may therefore not be justified.}, note = {Online available at: \url{https://doi.org/10.1016/j.mtcomm.2022.103729} (DOI). Knudsen, O.; Skilbred, A.; Løken, A.; Daneshian, B.; Höche, D.: Correlations between standard accelerated tests for protective organic coatings and field performance. Materials Today : Communications. 2022. vol. 31, 103729. DOI: 10.1016/j.mtcomm.2022.103729}} @misc{kasneryk_formation_and_2022, author={Kasneryk, V., Poschmann, M.P.M., Serdechnova, M., Dovzhenko, G., Wieland, D.C.F., Karlova, P., Naacke, T., Starykevich, M., Blawert, C., Stock, N., Zheludkevich, M.L.}, title={Formation and structure of ZIF-8@PEO coating on the surface of zinc}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2022.128733}, abstract = {Recently, plasma electrolytic oxidation (PEO) found broad application as a multi-purpose process to create effective corrosion and wear resistant coatings on various metallic substrates. The exceptional properties of metal organic frameworks (MOFs) put them also in focus as perspective materials for corrosion protection. In this work, the formation of a novel ZIF-8@PEO coating is reported for the first time. It was synthesized by controllable recrystallization of a PEO layer formed on zinc alloy Z1 into ZIF-8 in the presence of 2-methylimidazole organic linkers. The multi-stage mechanism of PEO to ZIF-8 rearrangement is proposed. Cross section, glow discharge optical emission spectroscopy and nano-focused synchrotron X-ray diffraction demonstrated that varying of synthesis parameters, the ZIF-8@PEO coating with different distribution of ZIF-8 through PEO layer can be prepared. Based on the results of laser scanning microscopy, the surface smoothing was observed with increasing the degree of the PEO-to-ZIF-8 rearrangement. Containing two components, the novel ZIF-8@PEO coating is expected to combine admirable physical-chemical properties of both PEO and ZIF-8. Such a feature can open the way for its potential application not only for corrosion protection, but also for photo- and heterogeneous catalysis.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2022.128733} (DOI). Kasneryk, V.; Poschmann, M.; Serdechnova, M.; Dovzhenko, G.; Wieland, D.; Karlova, P.; Naacke, T.; Starykevich, M.; Blawert, C.; Stock, N.; Zheludkevich, M.: Formation and structure of ZIF-8@PEO coating on the surface of zinc. Surface and Coatings Technology. 2022. vol. 445, 128733. DOI: 10.1016/j.surfcoat.2022.128733}} @misc{ofoegbu_electrochemical_characterization_2022, author={Ofoegbu, S.U., Quevedo, M.C., Bastos, A.C., Ferreira, M.G.S., Zheludkevich, M.L.}, title={Electrochemical characterization and degradation of carbon fibre reinforced polymer in quiescent near neutral chloride media}, year={2022}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-022-00261-1}, abstract = {In a quest for a better understanding of the mechanism and contribution(s) of fresh (“un-degraded”) and degraded CFRP surfaces to galvanic corrosion of coupled metals in multi-material assemblies the electrochemical behaviour of CFRP in quiescent 50 mM NaCl was studied using electrochemical techniques. Tests using ferricyanide/ferrocyanide redox couple revealed a quasi-reversible behaviour. Under cathodic polarization, CFRP is active electrochemically evidenced by the increase in pH (to pH ≥ 10). Galvanic current densities and potentials for Al-CFRP couple comprised of freshly polished CFRP sample ranged from 15–25 µA cm−2 and ≈−660 to −850 mVSCE respectively, while the corresponding parameter for Al-CFRP couple comprised of degraded CFRP were in the range 10–25 µA cm−2 and ≈−670 to −900 mVSCE. Contrary to expectations, CFRP prior exposure to degradative high pH media before galvanic coupling did not result in an increase in the intensity of galvanic corrosion of the coupled metal.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-022-00261-1} (DOI). Ofoegbu, S.; Quevedo, M.; Bastos, A.; Ferreira, M.; Zheludkevich, M.: Electrochemical characterization and degradation of carbon fibre reinforced polymer in quiescent near neutral chloride media. npj Materials Degradation. 2022. vol. 6, no. 1, 49. DOI: 10.1038/s41529-022-00261-1}} @misc{gonzalez_mg_biodegradation_2021, author={Gonzalez, J., Lamaka, S., Mei, D., Scharnagl, N., Feyerabend, F., Zheludkevich, M., Willumeit-Römer, R.}, title={Mg Biodegradation Mechanism Deduced from the Local Surface Environment under Simulated Physiological Conditions}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1002/adhm.202100053}, abstract = {Although certified magnesium-based implants are launched some years ago, the not well-defined Mg degradation mechanism under physiological conditions makes it difficult to standardize its use as a degradable biomaterial for a wide range of implant applications. Among other variables influencing the Mg degradation mechanism, monitoring the pH in the corrosive solution and, especially, at the corroding interface is important due to its direct relation with the formation and stability of the degradation products layer. The interface pH (pH at the Mg/solution interface) developed on Mg-2Ag and E11 alloys are studied in situ during immersion under dynamic conditions (1.5 mL min-1) in HBSS with and without the physiological amount of Ca2+ cations (2.5 × 10-3 m). The results show that the precipitation/dissolution of amorphous phosphate-containing phases, that can be associated with apatitic calcium-phosphates Ca10-x(PO4)6-x(HPO4 or CO3)x(OH or ½ CO3)2-x with 0 ≤ x ≤ 2 (Ap-CaP), promoted in the presence of Ca2+ generates an effective local pH buffering system at the surface. Thus, high alkalinization is prevented, and the interface pH is stabilized in the range of 7.6 to 8.5.}, note = {Online available at: \url{https://doi.org/10.1002/adhm.202100053} (DOI). Gonzalez, J.; Lamaka, S.; Mei, D.; Scharnagl, N.; Feyerabend, F.; Zheludkevich, M.; Willumeit-Römer, R.: Mg Biodegradation Mechanism Deduced from the Local Surface Environment under Simulated Physiological Conditions. Advanced Healthcare Materials. 2021. vol. 10, no. 13, 2100053. DOI: 10.1002/adhm.202100053}} @misc{wu_mgalv2o7_4_2021, author={Wu, Y., Wu, L., Zheludkevich, M., Chen, Y., Serdechnova, M., Yao, W., Blawert, C., Atrens, A., Pan, F.}, title={MgAl-V2O7 4- LDHs/(PEI/MXene)10 composite film for magnesium alloy corrosion protection}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jmst.2021.03.011}, abstract = {In this study, MgAl-V2O74- LDHs/(poly(ethyleneimine)(PEI)/MXene)n composite films were synthesized via (i) in-situ hydrothermal growth of Mg-Al layered double hydroxides (LDHs) on AZ31 alloy followed by vanadate intercalation reactions, and (ii) the as-prepared MgAl-V2O74- LDHs film was covered by layer-by-layer assembly using (PEI/MXene)n, where n=5, 10, and 20. Film characterization revealed that the outer layers (PEI/MXene) were assembled on the surface by electrostatic interaction and provided a good coverage of LDHs nanosheets. But, microcracks appeared gradually on the surface and destroyed the film integrity with increasing number of PEI/MXene layers. The corrosion tests indicated that the MgAl-V2O74- LDHs/(PEI/MXene)10 composite films provided a better corrosion protection ability than that of n=5 and 20. The outer layers (PEI/MXene) had a corrosion inhibition protective effect on MgAl-V2O74- LDHs film. This work opened a new perspective of the MXene materials for anticorrosion application via a layer-by-layer assembly method.}, note = {Online available at: \url{https://doi.org/10.1016/j.jmst.2021.03.011} (DOI). Wu, Y.; Wu, L.; Zheludkevich, M.; Chen, Y.; Serdechnova, M.; Yao, W.; Blawert, C.; Atrens, A.; Pan, F.: MgAl-V2O7 4- LDHs/(PEI/MXene)10 composite film for magnesium alloy corrosion protection. Journal of Materials Science & Technology. 2021. vol. 91, 28-39. DOI: 10.1016/j.jmst.2021.03.011}} @misc{kutuzau_structural_magnetic_2021, author={Kutuzau, M., Blokhin, A., Yurkshtovich, Y., Demyanov, S., Kalanda, N., Yarmolich, M., Serdechnova, M.}, title={Structural, magnetic and thermodynamic properties of barium ferromolybdate}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1080/14786435.2021.1926566}, abstract = {The heat capacity and magnetisation of the obtained by the solid-phase method from simple oxides single-phase compound Ba2FeMoO6-δ, in which the superstructural ordering of Fe and Mo cations occurs, was studied. The anomalous behaviour of the temperature dependences of heat capacity (deviation from Debye T3 law) and magnetic moment (ZFC mode) is interpreted as the existence of a superparamagnetic state in nanoscale grains. The second λ-type anomaly of heat capacity in the region of 300 K is due to the transition of the compound from the ferrimagnetic to the paramagnetic state. The Curie temperature, determined from the maximum of excess heat capacity in the region, is in good agreement with the Curie temperature obtained from the results of magnetic measurements, TC = 302 K. Based on the Ba2FeMoO6-δ compounds heat capacity data the next thermodynamic functions were calculated: reduced enthalpy, entropy, reduced Gibbs energy. The values of calculated functions in the region of temperature anomalies made it possible to classify such anomalies as second-order phase transitions.}, note = {Online available at: \url{https://doi.org/10.1080/14786435.2021.1926566} (DOI). Kutuzau, M.; Blokhin, A.; Yurkshtovich, Y.; Demyanov, S.; Kalanda, N.; Yarmolich, M.; Serdechnova, M.: Structural, magnetic and thermodynamic properties of barium ferromolybdate. Philosophical Magazine. 2021. vol. 101, no. 14, 1699-1708. DOI: 10.1080/14786435.2021.1926566}} @misc{bouali_mechanism_of_2021, author={Bouali, A., Iuzviuk, M., Serdechnova, M., Yasakau, K., Drozdenko, D., Lutz, A., Fekete, K., Dovzhenko, G., Wieland, F., Terryn, H., Ferreira, M., Zobkalo, I., Zheludkevich, M.}, title={Mechanism of LDH Direct Growth on Aluminum Alloy Surface: A Kinetic and Morphological Approach}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1021/acs.jpcc.1c02281}, abstract = {The growth of ZnAl layered double hydroxide (LDH) on the AA2024 surface was monitored using synchrotron high-resolution X-ray diffraction. Data were analyzed using the Avrami–Erofe’ev kinetic model. Accordingly, the LDH film growth is governed by a two-dimensional (2D) diffusion-controlled reaction with a zero nucleation rate. Additional methods, including ex situ atomic force microscopy/scanning Kelvin probe force microscopy (AFM/SKPFM) supported by in situ open-circuit potential (OCP) measurements together with scanning electron microscopy (SEM) and transmission electron microscopy with energy-dispersive X-ray spectroscopy (TEM/EDX) analysis, provided further insight into the different stages of the mechanism of LDH growth. Prior to the conversion coating formation, an intermediate layer is formed as a basis for the establishment of the LDH flakes. Moreover, a Cu-rich layer was revealed, which could contribute to the acceleration of LDH growth. The formed LDH layer does not show any cracks at the interface but presents minor irregularities in the structure, which could favor adhesion to subsequent organic coatings. The findings presented in this work provide an important insight to the corrosion performance of the LDH conversion coatings and the pathway to adopt for further optimization.}, note = {Online available at: \url{https://doi.org/10.1021/acs.jpcc.1c02281} (DOI). Bouali, A.; Iuzviuk, M.; Serdechnova, M.; Yasakau, K.; Drozdenko, D.; Lutz, A.; Fekete, K.; Dovzhenko, G.; Wieland, F.; Terryn, H.; Ferreira, M.; Zobkalo, I.; Zheludkevich, M.: Mechanism of LDH Direct Growth on Aluminum Alloy Surface: A Kinetic and Morphological Approach. The Journal of Physical Chemistry C. 2021. vol. 125, no. 21, 11687-11701. DOI: 10.1021/acs.jpcc.1c02281}} @misc{wang_insight_into_2021, author={Wang, L., Snihirova, D., Deng, M., Wang, C., Vaghefinazari, B., Wiese, G., Langridge, M., Höche, D., Lamaka, S., Zheludkevich, M.}, title={Insight into physical interpretation of high frequency time constant in electrochemical impedance spectra of Mg}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109501}, abstract = {Electrochemical impedance spectroscopy measurements were performed to study the evolution of surface condition, which related to the high frequency time constant of Mg, in 0.05 M NaCl solution at three different pH. Based on the assumption that the high frequency time constant originates solely from the surface film, the thickness of MgO film was calculated via fitting EIS results. The deduced results were compared with the actual surface condition, characterized by transmission electron microscopy and local measurements. The results verified that the time constant at the high frequency range originates from the barrier properties of the surface film.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109501} (DOI). Wang, L.; Snihirova, D.; Deng, M.; Wang, C.; Vaghefinazari, B.; Wiese, G.; Langridge, M.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Insight into physical interpretation of high frequency time constant in electrochemical impedance spectra of Mg. Corrosion Science. 2021. vol. 187, 109501. DOI: 10.1016/j.corsci.2021.109501}} @misc{hche_novel_magnesium_2021, author={Höche, D., Weber, W., Gazenbiller, E., Gavras, S., Hort, N., Dieringa, H.}, title={Novel Magnesium Based Materials: Are They Reliable Drone Construction Materials? A Mini Review}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.3389/fmats.2021.575530}, abstract = {Novel magnesium-based materials are ideal candidates for use in future aviation vehicles because they are extremely light and can therefore significantly increase the range of these vehicles. They show very good castability, are easy to machine and can be shaped into profiles or forgings to be used as components for next generation aerial vehicle construction. In the case of a large number of identical components, high-pressure die casting of magnesium alloys is clearly superior to high-pressure die casting of aluminum alloys. This is due to the lower solubility of iron in magnesium and thus tool/casting life is significantly longer. In addition, the die filling times for magnesium high-pressure die casting are approximately 30% shorter. This is due to the lower density: aluminum alloys are approximately 50% heavier than magnesium alloys, which is a significant disadvantage for aluminum alloys especially in the aerospace industry. There are cost-effective novel die casting alloys, besides AZ91 or AM50/60 such as DieMag633 or MRI230D, which show very good specific strength at room and elevated temperatures. In the case of magnesium-based wrought alloys, the choice is smaller, a typical representative of these materials is AZ31, but some new alloys based on Mg-Zn-Ca are currently being developed which show improved formability. However, magnesium alloys are susceptible to environmental influences, which can be eliminated by suitable coatings. Novel corrosion protection concepts for classical aerial vehicles currently under development might suitable but may need adaption to the construction constraints or to vehicle dependent exposure scenarios. Within this mini-review a paradigm change due to utilization of new magnesium materials as drone construction material is briefly introduced and future fields of applications within next-generation aerial vehicles, manned or unmanned, are discussed. Possible research topics will be addressed.}, note = {Online available at: \url{https://doi.org/10.3389/fmats.2021.575530} (DOI). Höche, D.; Weber, W.; Gazenbiller, E.; Gavras, S.; Hort, N.; Dieringa, H.: Novel Magnesium Based Materials: Are They Reliable Drone Construction Materials? A Mini Review. Frontiers in Materials. 2021. vol. 8, 575530. DOI: 10.3389/fmats.2021.575530}} @misc{yasakau_a_critical_2021, author={Yasakau, K., Starykevich, M., Ferreira, M., Zheludkevich, M.}, title={A critical look at interpretation of electrochemical impedance spectra of sol-gel coated aluminium}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.electacta.2021.138091}, abstract = {A proper assignment of time constants is important for the correct interpretation of the electrochemical impedance spectra of coated substrates. In this work, several model aluminium samples with different anodic oxide thicknesses were prepared and characterised. The aluminium samples were coated by a hybrid sol-gel formulation and studied by electrochemical impedance spectroscopy (EIS) during immersion in NaCl solution. A hierarchical model containing three R-C elements adequately described the impedance spectra of the coated samples. The R-C elements described the properties of sol-gel coatings, aluminium oxide layers and corrosion process. The contribution of the aluminium oxide layer to impedance was unambiguously proven to be at middle frequencies on the spectra. Furthermore, the “real” capacitances of oxide layers were obtained from two capacitance–CPE equations and their applicability was scrutinized. The obtained results presented an opportunity to determine the adhesion behaviour of the sol-gel coatings to the oxide layers, which was studied by analysing the ratio of the oxide layer capacitance of the sol-gel coated samples to the capacitance of the uncoated ones. It was demonstrated that the exposed surface area of the oxide to the electrolyte was about 60–68% and was not changing during immersion. Based on these findings, a degradation model of the sol-gel coating on anodised aluminium was proposed.}, note = {Online available at: \url{https://doi.org/10.1016/j.electacta.2021.138091} (DOI). Yasakau, K.; Starykevich, M.; Ferreira, M.; Zheludkevich, M.: A critical look at interpretation of electrochemical impedance spectra of sol-gel coated aluminium. Electrochimica Acta. 2021. vol. 378, 138091. DOI: 10.1016/j.electacta.2021.138091}} @misc{gnedenkov_control_of_2021, author={Gnedenkov, A., Lamaka, S., Sinebryukhov, S., Mashtalyar, D., Egorkin, V., Imshinetskiy, I., Zheludkevich, M., Gnedenkov, S.}, title={Control of the Mg alloy biodegradation via PEO and polymer-containing coatings}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109254}, abstract = {The composite calcium-phosphate coating on MA8 Mg alloy consisting of the inorganic porous basis sealed with polymer is suggested. To control the alloy resorption kinetics, the coating obtained by plasma electrolytic oxidation is modified with superdispersed polytetrafluoroethylene using electrophoretic deposition (EPD). Protective properties and morphology evolution as a result of surface treatment and corrosion propagation are examined by EIS, PDP, hydrogen evolution tests, SEM, EDX and XRD analysis. The obtained coatings are investigated at mechanistic level using SVET and local pH measurements. EPD composite coating decreases electrochemical activity of the sample in minimum essential medium and ensures the material biocompatibility.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109254} (DOI). Gnedenkov, A.; Lamaka, S.; Sinebryukhov, S.; Mashtalyar, D.; Egorkin, V.; Imshinetskiy, I.; Zheludkevich, M.; Gnedenkov, S.: Control of the Mg alloy biodegradation via PEO and polymer-containing coatings. Corrosion Science. 2021. vol. 182, 109254. DOI: 10.1016/j.corsci.2021.109254}} @misc{charalampidou_corrosioninduced_mechanical_2021, author={Charalampidou, C., Dietzel, W., Zheludkevich, M., Kourkoulis, S., Alexopoulos, N.}, title={Corrosion-induced mechanical properties degradation of Al-Cu-Li (2198-T351) aluminium alloy and the role of side-surface cracks}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109330}, abstract = {Corrosion-induced surface deterioration as well as mechanical properties degradation of AA2198-T351 were experimentally investigated and compared against AA2024-T3. Pre-corroded tensile and fatigue specimens were mechanically tested. Several degradation mechanisms were detected for different exposure times: a) pitting formation for short exposure times, where AA2198-T351 is superior to AA2024-T3 regarding corrosion resistance, b) exfoliation corrosion for higher exposure times (> 24 h), where almost the same corrosion resistance, regarding tensile elongation at fracture Af decrease, is evident for the two alloys and c) delamination between the grain layers on the side-surfaces. The fatigue endurance limit of AA2198-T351 was almost halved after 6 h corrosion exposure. Side-surfaces corrosion-induced cracks play a pivotal role on the Af decrease of AA2024-T3 due to delamination between the grain layers in the longitudinal rolling direction while this was not observed for AA2198-T351.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109330} (DOI). Charalampidou, C.; Dietzel, W.; Zheludkevich, M.; Kourkoulis, S.; Alexopoulos, N.: Corrosion-induced mechanical properties degradation of Al-Cu-Li (2198-T351) aluminium alloy and the role of side-surface cracks. Corrosion Science. 2021. vol. 183, 109330. DOI: 10.1016/j.corsci.2021.109330}} @misc{tonna_biodegradation_behaviour_2021, author={Tonna, C., Wang, C., Mei, D., Lamaka, S., Zheludkevich, M., Buhagiar, J.}, title={Biodegradation behaviour of Fe-based alloys in Hanks’ Balanced Salt Solutions: Part I. material characterisation and corrosion testing}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.bioactmat.2021.05.048}, abstract = {Research on Fe-based biodegradable alloys for implant applications has increased considerably over the past decade. However, there is limited information on the influence of testing electrolytes on corrosion product formation and general corrosion progress. In this work, the effect of Hanks’ Balanced Salt Solution (HBSS) with or without Ca2+ on the corrosion of Fe, Fe35Mn and (Fe35Mn)5Ag powder-processed coupons has been studied using potentiodynamic polarisation, Electrochemical Impedance Spectroscopy (EIS), and preliminary localised measurement of pH and dissolved oxygen concentration in close proximity to the metal surface. Both Fe35Mn and (Fe35Mn)5Ag alloys showed accelerated corrosion when compared to pure Fe based on potentiodynamic testing results, with FeMnAg exhibiting the highest corrosion rate in Ca2+-containing HBSS. The results indicate that in Ca2+-containing HBSS, the formation of a partially protective Ca/P layer decelerates the corrosion progress, whereas the Fe- and Mn-phosphates formed in Ca2+-free HBSS do not have the same effect. The Ca/P layer on (Fe35Mn)5Ag experienced a reduction in resistance following several hours of testing, indicating partial loss of its protective effect.}, note = {Online available at: \url{https://doi.org/10.1016/j.bioactmat.2021.05.048} (DOI). Tonna, C.; Wang, C.; Mei, D.; Lamaka, S.; Zheludkevich, M.; Buhagiar, J.: Biodegradation behaviour of Fe-based alloys in Hanks’ Balanced Salt Solutions: Part I. material characterisation and corrosion testing. Bioactive Materials. 2021. vol. 7, 426-440. DOI: 10.1016/j.bioactmat.2021.05.048}} @misc{daneshian_size_effects_2021, author={Daneshian, B., Gaertner, F., Assadi, H., Hoeche, D., Weber, W., Klassen, T.}, title={Size Effects of Brittle Particles in Aerosol Deposition—Molecular Dynamics Simulation}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1007/s11666-020-01149-9}, abstract = {Up to now, the role of particle sizes on the impact behavior of ceramic particles in aerosol deposition not yet fully understood. Hence, with the aim to supply a more general understanding, modeling series of low strain rate compression and high-speed impact were performed by molecular dynamics on single-crystalline particles in sizes of 10-300 nm that are tuned to match mechanical properties of TiO2-anatase. The modeling results reveal that particles with original diameter of 25-75 nm exhibit three different impact behaviors that could be distinguished as (i) rebounding, (ii) bonding and (iii) fragmentation, depending on their initial impact velocity. In contrast, particles larger than 75 nm do not exhibit the bonding behavior. Detailed stress and strain field distributions reveal that combination of “localized inelastic deformation” along the slip systems and “shear localization” cause bonding of the small and large particles to the substrate. The analyses of associated temperature rise by the inelastic deformation revealed that heat diffusion at these small scales depend on size. Whereas small particles could reach a rather homogeneous temperature distribution, the evolved heat in the larger ones keeps rather localized to areas of highest deformation and may support deformation and the formation of dense layers in aerosol deposition.}, note = {Online available at: \url{https://doi.org/10.1007/s11666-020-01149-9} (DOI). Daneshian, B.; Gaertner, F.; Assadi, H.; Hoeche, D.; Weber, W.; Klassen, T.: Size Effects of Brittle Particles in Aerosol Deposition—Molecular Dynamics Simulation. Journal of Thermal Spray Technology. 2021. vol. 30, 503-522. DOI: 10.1007/s11666-020-01149-9}} @misc{doblies_mechanical_degradation_2021, author={Doblies, A., Feiler, C., Würger, T., Schill, E., Meißner, R., Fiedler, B.}, title={Mechanical degradation estimation of thermosets by peak shift assessment: General approach using infrared spectroscopy}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.polymer.2021.123585}, abstract = {Until now, detecting weak spots in composite structures remains a key challenge in the aviation industry. The correct assessment of the load-bearing capability after structural overloading or the occurrence of barely-visible damages is particularly important to maintain structural integrity. Nonetheless, a reliable and overarching non-destructive inspection method to estimate the residual mechanical properties while covering all major damage scenarios has not been found yet. Several non-destructive techniques have been proposed to approach these challenges and are already in place for specific damage cases. However, each technique has its sources of information and therefore, limitations in practice due to a lack of generalisation. In this work, we present a concept and approach to gain access to the residual mechanical properties of a thermosetting polymer solely based on its inherent material state independent from its life-cycle history. Therefore, the material state is obtained by combining Fourier-transformed infrared spectroscopy with feature extraction algorithms based on Gaussian peak fitting. As proof of concept, tensile, creep, and cyclic tests are conducted to demonstrate this approach's advantage. A complementary theoretical investigation using quantum chemical calculations is employed to support the experimental work by identifying the investigated polymer's characteristic vibrational modes and predicting their evolution during the experiments. The results show that the quantification of molecular changes can estimate the material state and that the method is suitable to improve the understanding of the degradation processes and severity. This publication shall particularly serve as the basis for further research to study the interaction between molecular forces and material properties.}, note = {Online available at: \url{https://doi.org/10.1016/j.polymer.2021.123585} (DOI). Doblies, A.; Feiler, C.; Würger, T.; Schill, E.; Meißner, R.; Fiedler, B.: Mechanical degradation estimation of thermosets by peak shift assessment: General approach using infrared spectroscopy. Polymer. 2021. vol. 221, 123585. DOI: 10.1016/j.polymer.2021.123585}} @misc{garamus_degradation_of_2021, author={Garamus, V., Limberg, W., Serdechnova, M., Mei, D., Lamaka, S., Ebel, T., Willumeit-Römer, R.}, title={Degradation of Titanium Sintered with Magnesium: Effect of Hydrogen Uptake}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.3390/met11040527}, abstract = {Multifunctional materials based on a combination of permanent and degradable metals open new perspectives for medical implants combining osseoconductivity and drug-delivery functions which can significantly decrease the number of implants’ revision. In this work, hybrid magnesium-titanium materials were produced via sintering, and the properties of the permanent titanium component before and after the degradation of the temporary magnesium part were evaluated. The changes of chemical composition and mechanical parameters were determined. Loading of hydrogen into the titanium part at room temperature was observed, which deteriorated the mechanical characteristics but could also simultaneously improve the biocompatibility of the permanent titanium implant. The control of degradation of the magnesium part and the modification of the titanium part are required for the development of partly degradable hybrid implants.}, note = {Online available at: \url{https://doi.org/10.3390/met11040527} (DOI). Garamus, V.; Limberg, W.; Serdechnova, M.; Mei, D.; Lamaka, S.; Ebel, T.; Willumeit-Römer, R.: Degradation of Titanium Sintered with Magnesium: Effect of Hydrogen Uptake. Metals. 2021. vol. 11, no. 4, 527. DOI: 10.3390/met11040527}} @misc{wang_indium_chloride_2021, author={Wang, L., Snihirova, D., Deng, M., Wang, C., Höche, D., Lamaka, S., Zheludkevich, M.}, title={Indium chloride as an electrolyte additive for primary aqueous Mg batteries}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.electacta.2021.137916}, abstract = {Indium chloride (InCl3) as an electrolyte additive for primary aqueous Mg batteries is evaluated in this work in terms of its effect on discharge potential, self-corrosion rate and utilization efficiency of a newly developed Mg-0.15Ca anode. InCl3 addition to aqueous electrolyte leads to a more negative discharge potential but the enhancement weakens along with the consumption of In3+ to form In(OH)3 precipitates during the discharge process. Utilization efficiency of the anode is increased by adding InCl3 due to uniform anodic dissolution and suppressed self-corrosion with reduced chunk effect. Mg-air battery test results indicate that 10 mM InCl3 as electrolyte additive significantly enhances the cell voltage of aqueous Mg-air battery to 1.74 V and the specific energy based on anode weight loss to 2.26 kWh/ kg at 1 mA cm−2.}, note = {Online available at: \url{https://doi.org/10.1016/j.electacta.2021.137916} (DOI). Wang, L.; Snihirova, D.; Deng, M.; Wang, C.; Höche, D.; Lamaka, S.; Zheludkevich, M.: Indium chloride as an electrolyte additive for primary aqueous Mg batteries. Electrochimica Acta. 2021. vol. 373, 137916. DOI: 10.1016/j.electacta.2021.137916}} @misc{ignjatovic_the_influence_2021, author={Ignjatovic, S., Blawert, C., Serdechnova, M., Karpushenkov, S., Damjanovic, M., Karlova, P., Dovzhenko, G., Wieland, F., Zeller-Plumhoff, B., Starykevich, M., Stojanovic, S., Damjanovic-Vasilic, L., Zheludkevich, M.}, title={The Influence of In Situ Anatase Particle Addition on the Formation and Properties of Multifunctional Plasma Electrolytic Oxidation Coatings on AA2024 Aluminum Alloy}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1002/adem.202001527}, abstract = {Plasma electrolytic oxidation (PEO) with in‐situ anatase particle addition was applied to functionalize the surface of AA2024 alloy. A base potassium titanium‐oxide oxalate dihydrate aqueous electrolyte was used with up to 30 g/L anatase particle addition. The coatings’ morphology and phase composition as a function of the anatase concentration in the electrolyte were characterized by scanning electron microscopy (SEM), X‐ray diffraction (XRD) and glow discharge optical emission spectroscopy (GDOES). Photocatalytic activity, stability in chloride solution and tribological properties were also determined. The main coating forming phases are anatase and rutile on top of a mixed interface region consisting of TiAl2O5 as reaction product between the TiO2 and an Al2O3 barrier layer on top of the Al substrate. The mixed layer is extending with increasing amount of particles added, due to intensified discharges. In addition, anatase to rutile phase ratio increases due to the additional anatase particles in the electrolyte. Thus, the photocatalytic activity is improving with the particle addition. The coatings’ mechanical resistance is dropping first before increasing again with more particles added. Chemical and restored mechanical stability seems to be related to the extended mixed interface formation, which strengthen the bond to the substrate when more particles are added.}, note = {Online available at: \url{https://doi.org/10.1002/adem.202001527} (DOI). Ignjatovic, S.; Blawert, C.; Serdechnova, M.; Karpushenkov, S.; Damjanovic, M.; Karlova, P.; Dovzhenko, G.; Wieland, F.; Zeller-Plumhoff, B.; Starykevich, M.; Stojanovic, S.; Damjanovic-Vasilic, L.; Zheludkevich, M.: The Influence of In Situ Anatase Particle Addition on the Formation and Properties of Multifunctional Plasma Electrolytic Oxidation Coatings on AA2024 Aluminum Alloy. Advanced Engineering Materials. 2021. vol. 23, no. 6, 2001527. DOI: 10.1002/adem.202001527}} @misc{mir_the_stability_2021, author={Mir, Z., Gomes, C., Bastos, A., Sampaio, R., Maia, F., Rocha, C., Tedim, J., Höche, D., Ferreira, M., Zheludkevich, M.}, title={The Stability and Chloride Entrapping Capacity of ZnAl-NO2 LDH in High-Alkaline/Cementitious Environment}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.3390/cmd2010005}, abstract = {In this work, the ZnAl-NO2 LDH (layered double hydroxide) is investigated as a possible additive for mitigating the chloride-induced corrosion of steel in reinforced concrete. The investigation focused on the stability and chloride binding capacity of this LDH in the pH range typical of cementitious materials. Until pH = 12.5 the material was stable and effective in capturing chloride ions from the surrounding aqueous environment. For higher pH, precisely that of hydrated cement, the LDH was partially dissolved and OH− preferentially entrapped instead of Cl−. These results suggested that ZnAl-NO2 has excellent chloride entrapping capability at neutral pH, but this is reduced with increasing pH. However, when the LDH was incorporated into mortars, the chloride ingress was delayed, signifying that the dissolution of LDH leads to a secondary mechanism responsible for chloride capture.}, note = {Online available at: \url{https://doi.org/10.3390/cmd2010005} (DOI). Mir, Z.; Gomes, C.; Bastos, A.; Sampaio, R.; Maia, F.; Rocha, C.; Tedim, J.; Höche, D.; Ferreira, M.; Zheludkevich, M.: The Stability and Chloride Entrapping Capacity of ZnAl-NO2 LDH in High-Alkaline/Cementitious Environment. Corrosion and Materials Degradation. 2021. vol. 2, no. 1, 78-99. DOI: 10.3390/cmd2010005}} @misc{serdechnova_properties_of_2021, author={Serdechnova, M., Blawert, C., Karpushenkov, S., Karpushenkava, L., Shulha, T., Karlova, P., Vasilic, R., Stojadinovic, S., Stojanovic, S., Damjanovic-Vasilic, L., Heitmann, V., Rabchynski, S., Zheludkevich, M.}, title={Properties of ZnO/ZnAl2O4 composite PEO coatings on zinc alloy Z1}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2021.126948}, abstract = {Recently the successful formation of PEO coatings on zinc alloy in a phosphate aluminate electrolyte was shown. The produced composite coatings contain various mixtures of ZnO and ZnAl2O4. In frame of the current study, the properties of the formed coatings including adhesion/cohesion, wear, corrosion and photocatalytic activity were analysed to identify possible applications. However, the coatings show internal porosity and a sponge-like structure. Thus the cohesion within the coating is quite low. Pull-off tests have demonstrated clear rupture within the PEO layer at strength values as low as 1 MPa. The photocatalytic activity is limited, in spite of the formation of a higher amount of ZnO at shorter treatment times. Interestingly, the composite coatings of ZnO and higher amounts of ZnAl2O4 spinel showed a higher activity, but not sufficient for fast and effective catalytic cleaning applications.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2021.126948} (DOI). Serdechnova, M.; Blawert, C.; Karpushenkov, S.; Karpushenkava, L.; Shulha, T.; Karlova, P.; Vasilic, R.; Stojadinovic, S.; Stojanovic, S.; Damjanovic-Vasilic, L.; Heitmann, V.; Rabchynski, S.; Zheludkevich, M.: Properties of ZnO/ZnAl2O4 composite PEO coatings on zinc alloy Z1. Surface and Coatings Technology. 2021. vol. 410, 126948. DOI: 10.1016/j.surfcoat.2021.126948}} @misc{zellerplumhoff_exploring_key_2021, author={Zeller-Plumhoff, B., Gile, M., Priebe, M., Slominska, H., Boll, B., Wiese, B., Würger, T., Willumeit-Römer, R., Meißner, R.}, title={Exploring key ionic interactions for magnesium degradation in simulated body fluid – A data-driven approach}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109272}, abstract = {We have studied the degradation of pure magnesium wire in simulated body fluid and its subsets under physiological conditions to enable the prediction of the degradation rate based on the medium's ionic composition. To this end, micro-computed tomography and scanning electron microscopy with energy-dispersive X-ray spectroscopy were used, followed by a tree regression analysis. A non-linear relationship was found between degradation rate and the precipitation of calcium salts. The mean absolute error for predicting the degradation rate was 1.35 mm/yr. This comparatively high value indicates that ionic interactions were exceedingly complex or that an unknown parameter determining the degradation may exist.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109272} (DOI). Zeller-Plumhoff, B.; Gile, M.; Priebe, M.; Slominska, H.; Boll, B.; Wiese, B.; Würger, T.; Willumeit-Römer, R.; Meißner, R.: Exploring key ionic interactions for magnesium degradation in simulated body fluid – A data-driven approach. Corrosion Science. 2021. vol. 182, 109272. DOI: 10.1016/j.corsci.2021.109272}} @misc{jin_deteriorated_corrosion_2021, author={Jin, Y., Blawert, C., Hang, H., Wiese, B., Bohlen, J., Mei, D., Deng, M., Feyerabend, F., Willumeit, R.}, title={Deteriorated corrosion performance of micro-alloyed Mg-Zn alloy after heat treatment and mechanical processing}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jmst.2021.04.005}, abstract = {The corrosion performances of the as-cast and solution-treated Mg-0.5Zn samples were investigated in 0.9% NaCl solution and compared. From the electrochemical measurement results and corrosion morphology observations, it is found that the corrosion resistance of Mg-0.5Zn deteriorated with the extension of solution treatment duration. The main reason was the formation of Fe-Si precipitates with higher Fe concentrations during heat treatment. The Fe-Si precipitates, especially the ones with high Fe contents influenced the corrosion initiation and propagation significantly. In regard of corrosion performance, the solution-treated and then extruded sample was also performing not as good as the cast and then directly extruded sample.}, note = {Online available at: \url{https://doi.org/10.1016/j.jmst.2021.04.005} (DOI). Jin, Y.; Blawert, C.; Hang, H.; Wiese, B.; Bohlen, J.; Mei, D.; Deng, M.; Feyerabend, F.; Willumeit, R.: Deteriorated corrosion performance of micro-alloyed Mg-Zn alloy after heat treatment and mechanical processing. Journal of Materials Science & Technology. 2021. vol. 92, 214-224. DOI: 10.1016/j.jmst.2021.04.005}} @misc{gnedenkov_localized_corrosion_2021, author={Gnedenkov, A., Lamaka, S., Sinebryuhov, S., Filonina, V., Zheludkevich, M., Gnedenkov, S.}, title={Localized corrosion of magnesium alloys potentially applicable for medical implants: fundamental aspects}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.17580/tsm.2021.12.07}, abstract = {A comparative analysis of the corrosion activity of bioresorbable MA8 magnesium alloy (Mg– Mn – Ce system) in a medium for cultivation of mammalian cells (minimum essential medium, MEM) and 0.83 wt. % aqueous NaCl solution was performed. The development of the corrosion process on the surface of a magnesium alloy in two media was established using local scanning electrochemical methods (scanning vibrating electrode technique and scanning ion-selective electrode technique), traditional electrochemical methods (potentiodynamic polarization, electrochemical impedance spectroscopy) and hydrogen evolution measurements. The protective properties of the corrosion film formed on the alloy in MEM, as well as during exposure to NaCl solution, were established. The composition of the layer of corrosion products formed on the magnesium alloy in MEM was studied using confocal Raman spectroscopy, X-ray diffraction analysis, scanning electron microscopy, and energy dispersive X-Ray analysis. Calcium-phosphate compounds are the main products formed on the surface of a magnesium alloy during immersion in MEM. The model of corrosion mechanism of magnesium alloy in MEM, which includes three stages of the development of surface film, is proposed. The formation on the magnesium alloy in MEM of corrosion product layer, including magnesium-substituted hydroxyapatite, stabilizes the local pH below 9.0, which along with the presence of organic acids, does not allow increasing the pH during corrosion. A diagram that allows one to determine the possible reactions occurring on the surface of a magnesium alloy in MEM and the thermodynamic probability of the formation of chemical compounds based on the values of the local pH is designed. The obtained results indicate the prospect of using bioresorbable magnesium implants in surgery.}, note = {Online available at: \url{https://doi.org/10.17580/tsm.2021.12.07} (DOI). Gnedenkov, A.; Lamaka, S.; Sinebryuhov, S.; Filonina, V.; Zheludkevich, M.; Gnedenkov, S.: Localized corrosion of magnesium alloys potentially applicable for medical implants: fundamental aspects. Tsvetnye Metally. 2021. no. 12, 47-52. DOI: 10.17580/tsm.2021.12.07}} @misc{grnig_verbesserte_hydrophilie_2021, author={Grünig, L., Handge, U., Koll, J., Gronwald, O., Weber, M., Hankiewicz, B., Scharnagl, N., Abetz, V.}, title={Verbesserte Hydrophilie von Hohlfasermembranen mittels funktionalisierter Trennschicht für die Ultrafiltration : Dual Layer Hollow Fiber Membranes with Functionalized Separation Layer for Improved Hydrophilicity}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1002/cite.202100034}, abstract = {Polyethersulfonbasierte Hohlfasermembranen mit einer hydrophil funktionalisierten Trennschicht wurden hergestellt und untersucht. In die Trennschicht wurde ein amphiphiles Triblockcopolymer mit verschiedenen Konzentrationen integriert. Um eine gesteigerte Hydrophilie und damit assoziiertes verringertes Fouling zu erreichen, bestehen die Blockcopolymere aus zwei äußeren Poly(ethylenoxid)-Blöcken. Diese flankieren den inneren Polyethersulfonblock, welcher der Verankerung des Additivs in die Membran dient. Gesteigerte Hydrophilie, gepaart mit Permeanzen von 2000 L m−2h−1bar−1 und einem Rückhalt von 100 kDa, kennzeichnete die vielversprechendste Membran dieser Studie.}, note = {Online available at: \url{https://doi.org/10.1002/cite.202100034} (DOI). Grünig, L.; Handge, U.; Koll, J.; Gronwald, O.; Weber, M.; Hankiewicz, B.; Scharnagl, N.; Abetz, V.: Verbesserte Hydrophilie von Hohlfasermembranen mittels funktionalisierter Trennschicht für die Ultrafiltration : Dual Layer Hollow Fiber Membranes with Functionalized Separation Layer for Improved Hydrophilicity. Chemie - Ingenieur - Technik. 2021. vol. 93, no. 9, 1451-1456. DOI: 10.1002/cite.202100034}} @misc{chen_evaluation_of_2021, author={Chen, L., Guo, C., Blawert, C., Yang, J., Chen, D., Wang, X., Yu, Z., Zheludkevich, M., Li, W.}, title={Evaluation of the biodegradation product layer on Mg-1Zn alloy during dynamical strain}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.07.002}, abstract = {Magnesium (Mg) alloys are attractive biodegradable implant materials. The degradation products on Mg alloys play a critical role in the stability of the interface between implant and surrounding tissue. In the present study, the effects of dynamic deformation on the interface layer of biomedical Mg-1Zn alloy were investigated using the constant extension rate tensile tests (CERT) coupled with electrochemical impedance spectroscopy (EIS). The deformation of the Mg-1Zn alloy had an adverse influence on the impedance of the surface degradation layer formed in simulated body fluid that only containing inorganic compounds. However, the surface degradation layer with improved corrosion resistance was obtained for the strained samples tested in protein-containing simulated body fluid. The spontaneous or enhanced adsorption of protein into the degradation product led to a flexible and stable hybrid anti-corrosive layer. A relationship between the dynamic deformation of Mg alloy and the impendence of the degradation layer was established, which demonstrates the necessity for in situ characterisation of the evolution of the surface layer under dynamic condition.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.07.002} (DOI). Chen, L.; Guo, C.; Blawert, C.; Yang, J.; Chen, D.; Wang, X.; Yu, Z.; Zheludkevich, M.; Li, W.: Evaluation of the biodegradation product layer on Mg-1Zn alloy during dynamical strain. Journal of Magnesium and Alloys. 2021. vol. 9, no. 5, 1820-1833. DOI: 10.1016/j.jma.2021.07.002}} @misc{kalanda_oxygen_nonstoichiometry_2021, author={Kalanda, N., Yarmolich, M., Gurskii, A., Petrov, A., Zhaludkevich, A., Ignatenko, O., Serdechnova, M.}, title={Oxygen nonstoichiometry and magnetic properties of doped manganites La0.7Sr0.3Mn0.95Fe0.05O3-δ}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.3897/j.moem.7.4.80758}, abstract = {In this work, solid solutions of La0.7Sr0.3Mn0.95Fe0.05O3-δ with different oxygen content were obtained by the solid-phase reactions technique. Based on the investigation of the dynamics of changes in the oxygen index (3 – δ) during heating of the samples, the formation of a stressed state in their grains as a result of annealing was established. This results in a decrease in the mobility of oxygen vacancies during the reduction of cations according to the Mn4+ + e– → Mn3+ scheme and explains the decrease of released oxygen amount with an increase of δ as well as the heating rate of the samples. When studying the magnetic properties of the obtained samples, it was found that the temperature dependence of the magnetization obeys the Curie–Weiss law and as the oxygen defficiency increases, the Curie temperature for solid solutions decreases. It was found that the particles are in a frozen ferromagnetic state when measured in the low-temperature region of the М (Т) dependence in “zero-field mode” at Т ˂ ТВ. The presence of ferromagnetism at Т ˃ ТВ leads to a magnetically ordered state, in which the resulting magnetic moment of the magnetic particle is influenced by thermal fluctuations. When considering the temperature values of the magnetization of lanthanum-strontium manganite samples, it was found that with an increase of temperature in the low-temperature region, magnetic ordering is disturbed due to the excitation of magnons with a quadratic dependence of the energy from the wave vector, the number of which increases in proportion to T3/2. This results in a decrease in the manganite magnetization. The observed temperature dependence of the magnetization measured in the “field-cooling mode” was approximated taking into account the quadratic and non-quadratic dispersion laws of the magnon spectrum.}, note = {Online available at: \url{https://doi.org/10.3897/j.moem.7.4.80758} (DOI). Kalanda, N.; Yarmolich, M.; Gurskii, A.; Petrov, A.; Zhaludkevich, A.; Ignatenko, O.; Serdechnova, M.: Oxygen nonstoichiometry and magnetic properties of doped manganites La0.7Sr0.3Mn0.95Fe0.05O3-δ. Modern Electronic Materials. 2021. vol. 7, no. 4, 141-149. DOI: 10.3897/j.moem.7.4.80758}} @misc{davoodi_wear_and_2021, author={Davoodi, F., Atapour, M., Blawert, C., Zheludkevich, M.}, title={Wear and corrosion behavior of clay containing coating on AM 50 magnesium alloy produced by aluminate-based plasma electrolytic oxidation}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/S1003-6326(21)65759-X}, abstract = {This study aims to examine the effect of clay micro particles addition on the microstructure, wear and corrosion behavior of PEO coatings on AM 50 magnesium alloy. PEO coatings were prepared using an aluminate-based electrolyte with and without the presence of 5 g/L clay particles. The structure and composition of the coatings were evaluated using SEM, EDS and XRD. The wear investigations were conducted using a ball-on-disk tribometer at 2, 5 and 10 N loads. The corrosion behavior of the coatings was examined using polarization and EIS tests in 0.5 wt.%NaCl. The results revealed that the addition of clay particles deteriorated the wear resistance of the coatings under the loads of 5 and 10 N. The SEM examinations of the worn surfaces indicated that a combination of adhesive and abrasive wear mechanisms was activated for the coating with clay particles. The poor wear performance of the clay-incorporated coating was related to its lower adhesion strength and higher roughness. The potentiodynamic polarization examinations revealed that the addition of clay particles slightly decreased the corrosion rate of the coatings. Corrosion resistance of the clay-containing coating was attributed to its compactness, as indicated by the results of EIS tests.}, note = {Online available at: \url{https://doi.org/10.1016/S1003-6326(21)65759-X} (DOI). Davoodi, F.; Atapour, M.; Blawert, C.; Zheludkevich, M.: Wear and corrosion behavior of clay containing coating on AM 50 magnesium alloy produced by aluminate-based plasma electrolytic oxidation. Transactions of Nonferrous Metals Society of China. 2021. vol. 31, no. 12, 3719-3738. DOI: 10.1016/S1003-6326(21)65759-X}} @misc{schiessler_predicting_the_2021, author={Schiessler, E., Würger, T., Lamaka, S., Meißner, R., Cyron, C., Zheludkevich, M., Feiler, C., Aydin, R.}, title={Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41524-021-00658-7}, abstract = {The degradation behaviour of magnesium and its alloys can be tuned by small organic molecules. However, an automatic identification of effective organic additives within the vast chemical space of potential compounds needs sophisticated tools. Herein, we propose two systematic approaches of sparse feature selection for identifying molecular descriptors that are most relevant for the corrosion inhibition efficiency of chemical compounds. One is based on the classical statistical tool of analysis of variance, the other one based on random forests. We demonstrate how both can—when combined with deep neural networks—help to predict the corrosion inhibition efficiencies of chemical compounds for the magnesium alloy ZE41. In particular, we demonstrate that this framework outperforms predictions relying on a random selection of molecular descriptors. Finally, we point out how autoencoders could be used in the future to enable even more accurate automated predictions of corrosion inhibition efficiencies.}, note = {Online available at: \url{https://doi.org/10.1038/s41524-021-00658-7} (DOI). Schiessler, E.; Würger, T.; Lamaka, S.; Meißner, R.; Cyron, C.; Zheludkevich, M.; Feiler, C.; Aydin, R.: Predicting the inhibition efficiencies of magnesium dissolution modulators using sparse machine learning models. npj Computational Materials. 2021. vol. 7, no. 1, 193. DOI: 10.1038/s41524-021-00658-7}} @misc{wu_difference_in_2021, author={Wu, T., Blawert, C., Lu, X., Serdechnova, M., Zheludkevich, M.}, title={Difference in formation of plasma electrolytic oxidation coatings on MgLi alloy in comparison with pure Mg}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jma.2021.03.017}, abstract = {In order to study the substrate lattice structure (Li addition) on the growth of plasma electrolytic oxidation (PEO) coatings, MgLi alloy (11.36 wt.% of Li, cubic) and pure Mg (hexagonal) were treated under a pulsed direct PEO mode in a phosphate electrolyte for different periods of time. The results revealed that the presence of Li and Li-rich phases in the cubic Mg alloy seems to be essential for the treatment result rather than the original lattice structure. A modified discharge behavior of MgLi alloy finally led to a different microstructure of the coating. The unstable coatings of MgLi alloy tended to dissolve rapidly though shared the similar composition to that of pure Mg. Li was incorporated only in the primary conversion products at the interface of coating/MgLi. In spite of the advanced efficiency of energy input during processing, the more porous and thinner PEO coatings on the MgLi alloy were less resistant to abrasion and corrosion.}, note = {Online available at: \url{https://doi.org/10.1016/j.jma.2021.03.017} (DOI). Wu, T.; Blawert, C.; Lu, X.; Serdechnova, M.; Zheludkevich, M.: Difference in formation of plasma electrolytic oxidation coatings on MgLi alloy in comparison with pure Mg. Journal of Magnesium and Alloys. 2021. vol. 9, no. 5, 1725-1740. DOI: 10.1016/j.jma.2021.03.017}} @misc{hejjaj_effect_of_2021, author={Hejjaj, C., Aghzzaf, A., Scharnagl, N., Makha, M., Dahbi, M., Zheludkevich, M., Hakkou, R., Fischer, C.}, title={Effect of 6-Aminohexanoic Acid Released from Its Aluminum Tri-Polyphosphate Intercalate (ATP-6-AHA) on the Corrosion Protection Mechanism of Steel in 3.5% Sodium Chloride Solution}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.3390/cmd2040036}, abstract = {A new corrosion inhibitor called ATP-6-AHA was elaborated, and its inhibition action on S235 low carbon steel in 3.5% sodium chloride (NaCl) was investigated using gravimetry, potentiodynamic polarization (PP), and electrochemical impedance spectroscopy (EIS). The release of ecofriendly 6-aminohexanoic acid (6-AHA) from its established aluminum tri-polyphosphate intercalate (ATP-6-AHA) is investigated using electrochemical and surface characterization techniques such as X-ray diffraction (XRD) and X-ray fluorescence (XRF). The results revealed that ATP-6-AHA is a good inhibitor, with an inhibition efficiency of approximately 70%. The efficiency is related to the passivation of a steel surface by a phosphate protective layer due to the synergistic effect of 6-AHA, as confirmed by a steel surface analysis conducted using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). This study suggests that the intercalation of 6-AHA as a sustainable organic molecule within the interlayer spaces of aluminum tri-polyphosphate can well serve as a good flaky inhibitor for protecting S235 low-carbon steel from corrosion in 3.5% NaCl.}, note = {Online available at: \url{https://doi.org/10.3390/cmd2040036} (DOI). Hejjaj, C.; Aghzzaf, A.; Scharnagl, N.; Makha, M.; Dahbi, M.; Zheludkevich, M.; Hakkou, R.; Fischer, C.: Effect of 6-Aminohexanoic Acid Released from Its Aluminum Tri-Polyphosphate Intercalate (ATP-6-AHA) on the Corrosion Protection Mechanism of Steel in 3.5% Sodium Chloride Solution. Corrosion and Materials Degradation. 2021. vol. 2, no. 4, 666-677. DOI: 10.3390/cmd2040036}} @misc{zhang_doubleligand_strategy_2021, author={Zhang, Y., Wang, J., Zhao, S., Serdechnova, M., Blawert, C., Wang, H., Zheludkevich, M., Chen, F.}, title={Double-Ligand Strategy to Construct an Inhibitor-Loaded Zn-MOF and Its Corrosion Protection Ability for Aluminum Alloy 2A12}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1021/acsami.1c13738}, abstract = {A promising double-ligand strategy for the delivery of active corrosion inhibitors by a Zn(II)-based metal–organic framework (Zn-MOF) is developed. Zn-MOF compounds were synthesized by a facile one-pot solvothermal method and characterized. The Zn-MOF is based on the corrosion inhibitor benzotriazole (BTA) and 2,5-furandicarboxylic acid (H2FDA) ligand, which is a promising renewable building block alternative to terephthalic or isophthalic acid. The crystal structure and morphology are characterized by single-crystal X-ray diffraction analysis, powder X-ray diffraction analysis (PXRD), Fourier transform infrared spectroscopy (FT-IR), and scanning electron microscopy (SEM). The synthesized MOF crystallites are in the trigonal space group R3c with the cell parameters in a three-dimensional (3D) anionic framework. Their ability to inhibit the corrosion process of aluminum alloy 2A12 in NaCl solution was also evaluated by immersion tests in solutions with and without a MOF. The postcorrosion analysis was performed by SEM and X-ray photoelectron spectroscopy (XPS). Additional information about the inhibition efficiency was obtained by electrochemical impedance spectroscopy (EIS). The results suggest that the as-synthesized MOF can release the inhibitors and form protective layers effectively on the surface of the aluminum alloy. The use of inhibitor-loaded MOF nanocontainers provides promising opportunities for the smart delivery of inhibitors and effective corrosion protection of 2A12 aluminum alloys.}, note = {Online available at: \url{https://doi.org/10.1021/acsami.1c13738} (DOI). Zhang, Y.; Wang, J.; Zhao, S.; Serdechnova, M.; Blawert, C.; Wang, H.; Zheludkevich, M.; Chen, F.: Double-Ligand Strategy to Construct an Inhibitor-Loaded Zn-MOF and Its Corrosion Protection Ability for Aluminum Alloy 2A12. ACS Applied Materials and Interfaces. 2021. vol. 13, no. 43, 51685-51694. DOI: 10.1021/acsami.1c13738}} @misc{wu_role_of_2021, author={Wu, T., Blawert, C., Serdechnova, M., Karlova, P., Dovzhenko, G., Wieland, F., Zheludkevich, M.}, title={Role of polymorph microstructure of Ti6Al4V alloy on PEO coating formation in phosphate electrolyte}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2021.127890}, abstract = {In this work, the formation behavior of PEO coatings on polymorph Ti6Al4V alloy with two different lattice structures (hexagonal close packed α-Ti and cubic body centered β-Ti phases) was studied, using two galvanostatically controlled processes. The phase formation as a function of treatment time was studied ex-situ locally on the two Ti phases by interrupting the treatment after certain time intervals and in-situ continuously in an integral manner by recording diffraction patterns from the changing surface during the PEO process. The initial discharges were preferred to start on β-Ti phases localized at the grain boundaries and then extends to the surrounding α-Ti grains. The presence of α- and β-Ti phases was also responsible for the different local coating surface morphology. A highly sintered morphology and larger-sized micro-pores developed firstly on the layer on β-Ti phases, with higher concentration of vanadium. These findings highlight the importance of microstructure of Ti6Al4V alloy on the formation of PEO coatings. Under the selected conditions of PEO processing, the higher current density promotes the growing of the coating and reduces the surface roughness of the resultant coating. The ex-situ characterization of the coatings after certain periods shows that the final coatings mainly consist of anatase, rutile and an amorphous phase containing phosphorous. The formation of rutile, transformed from anatase, is influenced by the effective temperature of the discharges, thus the ratio of anatase to rutile is decreasing with treatment time. The in-situ characterization of phase evolution showed the formation of an amorphous phase in parallel with an expanded α-Ti phase, which is a result of oxygen incorporation into solid solution into the titanium lattice. Interestingly, the main formation of crystalline phases occur only when the HV is turned off and the coating obviously cools down.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2021.127890} (DOI). Wu, T.; Blawert, C.; Serdechnova, M.; Karlova, P.; Dovzhenko, G.; Wieland, F.; Zheludkevich, M.: Role of polymorph microstructure of Ti6Al4V alloy on PEO coating formation in phosphate electrolyte. Surface and Coatings Technology. 2021. vol. 428, 127890. DOI: 10.1016/j.surfcoat.2021.127890}} @misc{wang_a_novel_2021, author={Wang, W., Blawert, C., Zan, R., Sun, Y., Peng, H., Ni, J., Han, P., Suo, T., Song, Y., Zhang, S., Zheludkevich, M., Zhang, X.}, title={A novel lean alloy of biodegradable Mg–2Zn with nanograins}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.bioactmat.2021.04.020}, abstract = {Lean alloy (low alloyed) is beneficial for long-term sustainable development of metal materials. Creating a nanocrystalline microstructure is a desirable approach to improve biodegradability and mechanical properties of lean biomedical Mg alloy, but it is nearly impossible to realize. In the present study, the bulk nanocrystalline Mg alloy (average grain size: ~70 nm) was successfully obtained by hot rolling process of a lean Mg-2wt.%Zn (Z2) alloy and both high strength ((223 MPa (YS) and 260 MPa (UTS)) and good corrosion resistance (corrosion rate in vivo: 0.2 mm/year) could be achieved. The microstructure evolution during the rolling process was analyzed and discussed. Several factors including large strain, fine grains, strong basal texture, high temperature and Zn segregation conjointly provided the possibility for the activation of pyramidal slip to produce nanocrystals. This finding could provide a new development direction and field of application for lean biomedical Mg alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.bioactmat.2021.04.020} (DOI). Wang, W.; Blawert, C.; Zan, R.; Sun, Y.; Peng, H.; Ni, J.; Han, P.; Suo, T.; Song, Y.; Zhang, S.; Zheludkevich, M.; Zhang, X.: A novel lean alloy of biodegradable Mg–2Zn with nanograins. Bioactive Materials. 2021. vol. 6, no. 12, 4333-4341. DOI: 10.1016/j.bioactmat.2021.04.020}} @misc{han_evolution_and_2021, author={Han, J., Luthringer, B., Tang, S., Hu, J., Blawert, C., Zheludkevich, M.}, title={Evolution and performance of a MgO/HA/DCPD gradient coating on pure magnesium}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jallcom.2021.160793}, abstract = {A composite calcium phosphate (CaPh) coating containing calcium hydrogen phosphate dihydrate (DCPD) and hydroxyapatite (HA) is fabricated on plasma electrolytic oxidized (PEO) magnesium via electro-assisted deposition. During immersion in simulated body fluid, the soluble DCPD stimulates the precipitation of HA and remains the degradability of the system, while the stable HA reinforces the corrosion resistance along with PEO layer. The morphology, thickness and corrosion property of the coating evolve remarkably with the deposition time. Various growth patterns of DCPD are presented in different period which noticeably influences the interfacial combination, as well as corrosion resistance. The composite coating after 60 min deposition shows most compact morphology and stable interfacial combination, leading to excellent corrosion resistance, apatite formation ability and cell attachment behavior.}, note = {Online available at: \url{https://doi.org/10.1016/j.jallcom.2021.160793} (DOI). Han, J.; Luthringer, B.; Tang, S.; Hu, J.; Blawert, C.; Zheludkevich, M.: Evolution and performance of a MgO/HA/DCPD gradient coating on pure magnesium. Journal of Alloys and Compounds. 2021. vol. 883, 160793. DOI: 10.1016/j.jallcom.2021.160793}} @misc{han_formation_and_2021, author={Han, J., Blawert, C., Tang, S., Yang, J., Hu, J., Zheludkevich, M.}, title={Formation and corrosion behaviors of calcium phosphate coatings on plasma electrolytic oxidized Mg under changing chemical environment}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfcoat.2021.127030}, abstract = {In order to form calcium phosphate (CaPh) coatings in the changing chemical environment, a drop wise addition procedure is performed during electro-deposition process. Two kind of electrolytes of KH2PO4 and K2HPO4, are added into Ca(NO3)2 solution respectively where plasma electrolytic oxidized (PEO) magnesium is placed. Results indicate that the phase composition and morphologies of the CaPh coatings are modified due to the changing chemical composition of electrolyte. Only calcium hydrogen phosphate dihydrate (DCPD) is formed on the PEO surface in the presence of KH2PO4 electrolyte, while a combination of hydroxyapatite (HA) and DCPD is obtained on the PEO surface in the electrolyte containing K2HPO4. The latter coating exhibits superior corrosion resistance in simulated body fluid, which implies the feasibility of the proposed strategy in fabricating biodegradable coating for Mg alloys.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfcoat.2021.127030} (DOI). Han, J.; Blawert, C.; Tang, S.; Yang, J.; Hu, J.; Zheludkevich, M.: Formation and corrosion behaviors of calcium phosphate coatings on plasma electrolytic oxidized Mg under changing chemical environment. Surface and Coatings Technology. 2021. vol. 412, 127030. DOI: 10.1016/j.surfcoat.2021.127030}} @misc{hejjaj_introduction_of_2021, author={Hejjaj, C., AitAghzzaf, A., Scharnagl, N., Zheludkevich, M., Hakkou, R., Fischer, C.}, title={Introduction of an innovative corrosion-protective alkyd steel coating based on a novel layered aluminum tripolyphosphate loaded with 6-amino hexanoic acid (ATP-6-AHA)}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.porgcoat.2021.106500}, abstract = {The novel hybrid phosphate pigment 6-amino hexanoic acid (6-AHA) intercalated in layered aluminum di-hydrogen tripolyphosphate (ATP-6-AHA) was successfully embedded in an alkyd coating at 5.0 wt% and applied on low carbon steel. Layered pigments used in coatings are becoming very attractive due to the improvement of the coatings barrier properties. The current study revealed superior corrosion protection of ATP-6-AHA coating on carbon steel with a polarization resistance of 1.3 108 Ohm·cm2 after three weeks immersed in a 3.5 wt% NaCl solution, using electrochemical impedance spectroscopy (EIS). The adhesion and surface roughness of coated samples were evaluated using pull of test and laser scanning microscopy. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were employed to assess the corrosion protection of ATP-6-AHA alkyd coating. Results revealed a protective film on steel surface comprising iron phosphate.}, note = {Online available at: \url{https://doi.org/10.1016/j.porgcoat.2021.106500} (DOI). Hejjaj, C.; AitAghzzaf, A.; Scharnagl, N.; Zheludkevich, M.; Hakkou, R.; Fischer, C.: Introduction of an innovative corrosion-protective alkyd steel coating based on a novel layered aluminum tripolyphosphate loaded with 6-amino hexanoic acid (ATP-6-AHA). Progress in Organic Coatings. 2021. vol. 161, 106500. DOI: 10.1016/j.porgcoat.2021.106500}} @misc{neves_insights_into_2021, author={Neves, C., Sousa, I., Freitas, M., Moreira, L., Costa, C., Teixeira, J., Fraga, S., Pinto, E., Almeida, A., Scharnagl, N., Zheludkevich, M., Ferreira, M., Tedim, J.}, title={Insights into corrosion behaviour of uncoated Mg alloys for biomedical applications in different aqueous media}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.jmrt.2021.05.090}, abstract = {MgCa and MgGd series of alloys are often reported as promising candidates for biomedical applications. In the present study, cytotoxicity and corrosion behavior of Mg1Ca and Mg10Gd alloys in different electrolytes (NaCl, PBS, MEM) have been investigated in order to make a direct comparison and understand the mechanisms behind their performance. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) were employed to analyze corrosion processes depending on media composition, whereas X-Ray diffraction (XRD) and scanning electron microscopy (SEM) were used to evaluate crystalline structure, phase composition and surface morphology of the corroded substrates after immersion in the different electrolytes. Moreover, cytotoxicity of the Mg alloys was assessed using the WST-1 reduction and lactate dehydrogenase (LDH) release assays in L929 mouse fibroblasts. The electrochemical results showed that Mg1Ca has a lower degradation rate when compared to Mg10Gd, due to the lower microgalvanic effects and the presence of Ca as an alloying element. Furthermore, the corrosion activity is reduced in MEM, for both alloys, when compared to NaCl and PBS. The cytotoxicity assays revealed that Mg10Gd was cytotoxic in all the conditions tested, while the toxicity of Mg1Ca was low. Overall, these findings show that Mg1Ca alloy presents a higher corrosion resistance and biocompatibility and is a promising material to be used in biomedical implants.}, note = {Online available at: \url{https://doi.org/10.1016/j.jmrt.2021.05.090} (DOI). Neves, C.; Sousa, I.; Freitas, M.; Moreira, L.; Costa, C.; Teixeira, J.; Fraga, S.; Pinto, E.; Almeida, A.; Scharnagl, N.; Zheludkevich, M.; Ferreira, M.; Tedim, J.: Insights into corrosion behaviour of uncoated Mg alloys for biomedical applications in different aqueous media. Journal of Materials Research and Technology : JMRT. 2021. vol. 13, 1908-1922. DOI: 10.1016/j.jmrt.2021.05.090}} @misc{deng_highenergy_and_2021, author={Deng, M., Wang, L., Vaghefinazari, B., Xu, W., Feiler, C., Lamaka, S., Höche, D., Zheludkevich, M., Snihirova, D.}, title={High-energy and durable aqueous magnesium batteries: Recent advances and perspectives}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.ensm.2021.09.008}, abstract = {Aqueous Mg batteries are promising energy storage and conversion systems to cope with the increasing demand for green, renewable and sustainable energy. Realization of high energy density and long endurance system is significant for fully delivering the huge potential of aqueous Mg batteries, which has drawn increasing attention and investigations from researchers worldwide in the last years. Herein, a thorough insight into recent progress in aqueous Mg battery system is presented in terms of anode development and electrolyte tailoring. Accordingly, potential directions to move in the future for battery advances are proposed. Concomitantly, prospective application of computational methods assisted by machine learning for battery performance boosting is discussed. Moreover, a comprehensive understanding on self-discharge of Mg anodes in aqueous electrolytes is given based on recently published results. Overcoming this problem paves the way for achieving high-capacity anodes and consequently high-energy batteries.}, note = {Online available at: \url{https://doi.org/10.1016/j.ensm.2021.09.008} (DOI). Deng, M.; Wang, L.; Vaghefinazari, B.; Xu, W.; Feiler, C.; Lamaka, S.; Höche, D.; Zheludkevich, M.; Snihirova, D.: High-energy and durable aqueous magnesium batteries: Recent advances and perspectives. Energy Storage Materials. 2021. vol. 43, 238-247. DOI: 10.1016/j.ensm.2021.09.008}} @misc{barzegari_computational_modeling_2021, author={Barzegari, M., Mei, D., Lamaka, S., Geris, L.}, title={Computational modeling of degradation process of biodegradable magnesium biomaterials}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109674}, abstract = {Despite the advantages of using biodegradable metals in implant design, their uncontrolled degradation and release remain a challenge in practical applications. A validated computational model of the degradation process can facilitate tuning implant biodegradation properties. In this study, a mathematical model of the chemistry of magnesium biodegradation was developed and implemented in a 3D computational model. The parameters were calibrated by Bayesian optimization using dedicated experimental data. The model was validated by comparing the predicted and experimentally obtained pH change in saline and buffered solutions, showing maximum 5% of difference, demonstrating the model's validity to be used for practical cases.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109674} (DOI). Barzegari, M.; Mei, D.; Lamaka, S.; Geris, L.: Computational modeling of degradation process of biodegradable magnesium biomaterials. Corrosion Science. 2021. vol. 190, 109674. DOI: 10.1016/j.corsci.2021.109674}} @misc{vaghefinazari_adverse_effect_2021, author={Vaghefinazari, B., Wang, C., Mercier, D., Mei, D., Seyeux, A., Marcus, P., Blawert, C., Lamaka, S.V., Zheludkevich, M.L.}, title={Adverse effect of 2,5PDC corrosion inhibitor on PEO coated magnesium}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109830}, abstract = {Besides their noteworthy tribological and corrosion protection properties, Plasma Electrolytic Oxidation (PEO) coatings feature a porous microstructure that is able to host corrosion inhibitors. This study reveals that although 2,5pyridindicarboxylate (2,5PDC) shows a remarkable corrosion inhibition effect for bare AZ21 Mg alloy, it can extensively deteriorate a PEO coating on the same Mg substrate, resulting in an overall accelerated failure of the PEO-coated AZ21 alloy. The deteriorative behavior of 2,5PDC towards PEO-coated AZ21 is explained based on the characterization of the bare and PEO-coated AZ21 exposed to the NaCl electrolyte with and without inhibitor using EIS, SEM, STEM and ToF-SIMS.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109830} (DOI). Vaghefinazari, B.; Wang, C.; Mercier, D.; Mei, D.; Seyeux, A.; Marcus, P.; Blawert, C.; Lamaka, S.; Zheludkevich, M.: Adverse effect of 2,5PDC corrosion inhibitor on PEO coated magnesium. Corrosion Science. 2021. vol. 192, 109830. DOI: 10.1016/j.corsci.2021.109830}} @misc{yasakau_sacrificial_protection_2021, author={Yasakau, K.A., Bastos, A.C., Haffner, D., Quandt, E., Feyerabend, F., Ferreira, M.G.S., Zheludkevich, M.L.}, title={Sacrificial protection of Mg-based resorbable implant alloy by magnetron sputtered Mg5Gd alloy coating: A short-term study}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109590}, abstract = {In this work metallic pins made of Mg5Gd alloy were coated with magnetron sputtered PVD Mg5Gd layers. Immersion tests in Hank’s balanced salt solution (HBSS) were performed. The PVD coating drastically reduced the corrosion rate of the Mg5Gd pin. The corrosion mechanism of the coating was studied in model electrochemical measurements by Scanning Vibrating Electrode Technique and galvanic current measurements. The tests revealed the preferential anodic dissolution of the Mg5Gd coating galvanically coupled with the bulk Mg5Gd pin. Local measurements of Volta potential difference revealed the VPD contrast between the pin and the coating surfaces only after immersion in HBSS.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109590} (DOI). Yasakau, K.; Bastos, A.; Haffner, D.; Quandt, E.; Feyerabend, F.; Ferreira, M.; Zheludkevich, M.: Sacrificial protection of Mg-based resorbable implant alloy by magnetron sputtered Mg5Gd alloy coating: A short-term study. Corrosion Science. 2021. vol. 189, 109590. DOI: 10.1016/j.corsci.2021.109590}} @misc{mei_corrosion_behavior_2021, author={Mei, D., Wang, C., Nienaber, M., Pacheco, M., Barros, A., Neves, S., Reis, R., Zhu, S., Bohlen, J., Letzig, D., Guan, S., Zheludkevich, M., Lamaka, S.}, title={Corrosion behavior of Mg wires for ureteral stent in artificial urine solution}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.corsci.2021.109567}, abstract = {Ureteral stents are a relatively new potential application for biodegradable Mg alloys. In this study, the corrosion behavior of Mg-1Zn wires and pure Mg wires in artificial urine solution (AUS) is investigated. It is found that AUS possesses a strong pH buffer effect. Hydrogen evolution measurement cannot be used for Mg corrosion test in this AUS due to the oxygen scavenging effect of sulfite, which is a component of AUS. The corrosion products consist of two layers, MgNH4PO4·6H2O and Mg(OH)2. The partially protective MgNH4PO4·6H2O slows down the Mg corrosion, but it indicates the encrustation risk on bare Mg-based ureteral stents.}, note = {Online available at: \url{https://doi.org/10.1016/j.corsci.2021.109567} (DOI). Mei, D.; Wang, C.; Nienaber, M.; Pacheco, M.; Barros, A.; Neves, S.; Reis, R.; Zhu, S.; Bohlen, J.; Letzig, D.; Guan, S.; Zheludkevich, M.; Lamaka, S.: Corrosion behavior of Mg wires for ureteral stent in artificial urine solution. Corrosion Science. 2021. vol. 189, 109567. DOI: 10.1016/j.corsci.2021.109567}} @misc{yeshmanova_plasma_electrolytic_2021, author={Yeshmanova, G., Smagulov, D., Blawert, C.}, title={Plasma electrolytic oxidation technology for producing protective coatings of aluminum alloys}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.31643/2021/6445.21}, abstract = {Today, the technology of hardening the surface layers of parts and the creation of protective coatings on the surface with high physical, mechanical and chemical properties is particularly effective. The article reviews the most promising innovative technologies for surface hardening of aluminum alloys - plasma electrolytic oxidation (PEO). Possible conditions and mechanisms for the formation of protective coatings on the surface of aluminum alloys are considered. The influence of the main parameters of PEO processing (electrical parameters, composition and concentration of electrolyte, the influence of alloying elements) on the structure and properties of oxide-ceramic coatings has been studied. The qualitative characteristics of the surface layer of samples and finished products made of aluminum alloys have shown the effectiveness of the PEO technology, which makes it possible to obtain ceramic coatings with high hardness, strength, increased wear and corrosion resistance. Possible areas of application of high-performance technologies for the deposition of protective PEO coatings on the surface of products made of aluminum alloys are proposed.}, note = {Online available at: \url{https://doi.org/10.31643/2021/6445.21} (DOI). Yeshmanova, G.; Smagulov, D.; Blawert, C.: Plasma electrolytic oxidation technology for producing protective coatings of aluminum alloys. Kompleksnoe Ispol'zovanie Mineral'nogo Syrja. 2021. vol. 317, no. 2, 78-93. DOI: 10.31643/2021/6445.21}} @misc{mojsilovi_zeolitecontaining_photocatalysts_2021, author={Mojsilović, K., Božović, N., Stojanović, S., Damjanović-Vasilić, L., Serdechnova, M., Blawert, C., Zheludkevich, M.L., Stojadinović, S., Vasilić, R.}, title={Zeolite-containing photocatalysts immobilized on aluminum support by plasma electrolytic oxidation}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1016/j.surfin.2021.101307}, abstract = {The preparation and properties of zeolite-containing oxide coatings obtained by plasma electrolytic oxidation are investigated and discussed. Pure and Ce-exchanged natural (clinoptilolite) and synthetic (13X) zeolites are immobilized on aluminum support from silicate-based electrolyte. Obtained coatings are characterized with respect to their morphology, phase and chemical composition, photocatalytic activity and anti-corrosion properties. It is observed that all mentioned properties of obtained coatings are dependent on processing time and type of immobilized zeolite. Coatings with Ce-exchanged zeolite show higher photocatalytic activity and more effective corrosion protection than those with pure zeolite. The highest photocatalytic activity is observed for coatings processed in a pulsed DC regime for 30 min containing Ce-exchanged 13X zeolite, followed by those containing Ce-exchanged clinoptilolite. Pronounced anti-corrosion properties feature almost all samples containing Ce-exchanged 13X zeolite.}, note = {Online available at: \url{https://doi.org/10.1016/j.surfin.2021.101307} (DOI). Mojsilović, K.; Božović, N.; Stojanović, S.; Damjanović-Vasilić, L.; Serdechnova, M.; Blawert, C.; Zheludkevich, M.; Stojadinović, S.; Vasilić, R.: Zeolite-containing photocatalysts immobilized on aluminum support by plasma electrolytic oxidation. Surfaces and Interfaces. 2021. vol. 26, 101307. DOI: 10.1016/j.surfin.2021.101307}} @misc{wrger_exploring_structureproperty_2021, author={Würger, T., Mei, D., Vaghefinazari, B., Winkler, D., Lamaka, S., Zheludkevich, M., Meißner, R., Feiler, C.}, title={Exploring structure-property relationships in magnesium dissolution modulators}, year={2021}, howpublished = {journal article}, doi = {https://doi.org/10.1038/s41529-020-00148-z}, abstract = {Small organic molecules that modulate the degradation behavior of Mg constitute benign and useful materials to modify the service environment of light metal materials for specific applications. The vast chemical space of potentially effective compounds can be explored by machine learning-based quantitative structure-property relationship models, accelerating the discovery of potent dissolution modulators. Here, we demonstrate how unsupervised clustering of a large number of potential Mg dissolution modulators by structural similarities and sketch-maps can predict their experimental performance using a kernel ridge regression model. We compare the prediction accuracy of this approach to that of a prior artificial neural networks study. We confirm the robustness of our data-driven model by blind prediction of the dissolution modulating performance of 10 untested compounds. Finally, a workflow is presented that facilitates the automated discovery of chemicals with desired dissolution modulating properties from a commercial database. We subsequently prove this concept by blind validation of five chemicals.}, note = {Online available at: \url{https://doi.org/10.1038/s41529-020-00148-z} (DOI). Würger, T.; Mei, D.; Vaghefinazari, B.; Winkler, D.; Lamaka, S.; Zheludkevich, M.; Meißner, R.; Feiler, C.: Exploring structure-property relationships in magnesium dissolution modulators. npj Materials Degradation. 2021. vol. 5, no. 1, 2. DOI: 10.1038/s41529-020-00148