Pub Date : 2025-12-16DOI: 10.1016/j.corsci.2025.113563
Zhen Zeng , Xingyu Feng , Wen Wang , Jintao Lu , Jibo Tan , En-Hou Han , Wenjun Kuang
The FeAl coating demonstrates exceptional corrosion resistance in 550 °C Lead-Bismuth Eutectic (LBE) even at an ultra-low oxygen concentration of 10⁻⁹ wt% by forming a protective nanoscale alumina film. However, the leaching of Fe through alumina scale leads to the precipitation of η-Fe₂Al₅ phase in sub-surface region, especially along grain boundaries, which is considered the primary degradation mechanism of the coating in LBE. Approximately 10 % of the grain boundaries also formed intergranular pores. Scratching promotes the aging process of coating as it induces severe plastic deformation. Notably, recrystallization occurs in surface region, along with increased density and extent of precipitates in the deformation zone. Furthermore, the intergranular pores in the coating surface are effectively suppressed in the scratched area.
{"title":"Effect of scratching on the corrosion-assisted aging of slurry aluminide coating on 316LN stainless steel in oxygen-poor lead-bismuth eutectic at 550 °C","authors":"Zhen Zeng , Xingyu Feng , Wen Wang , Jintao Lu , Jibo Tan , En-Hou Han , Wenjun Kuang","doi":"10.1016/j.corsci.2025.113563","DOIUrl":"10.1016/j.corsci.2025.113563","url":null,"abstract":"<div><div>The FeAl coating demonstrates exceptional corrosion resistance in 550 °C Lead-Bismuth Eutectic (LBE) even at an ultra-low oxygen concentration of 10⁻⁹ wt% by forming a protective nanoscale alumina film. However, the leaching of Fe through alumina scale leads to the precipitation of η-Fe₂Al₅ phase in sub-surface region, especially along grain boundaries, which is considered the primary degradation mechanism of the coating in LBE. Approximately 10 % of the grain boundaries also formed intergranular pores. Scratching promotes the aging process of coating as it induces severe plastic deformation. Notably, recrystallization occurs in surface region, along with increased density and extent of precipitates in the deformation zone. Furthermore, the intergranular pores in the coating surface are effectively suppressed in the scratched area.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113563"},"PeriodicalIF":7.4,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-16DOI: 10.1016/j.corsci.2025.113565
Dongju Kim , Youho Lee
A mechanistic model to quantitatively predict steam oxidation-induced degradation of chromium (Cr) coatings on zirconium (Zr) alloys and corresponding rapid oxidation was developed and validated by comprehensively modeling each kinetic process responsible for degradation. The model was validated against isothermal oxidation data in the 1100–1300 °C range, in terms of layer thicknesses, oxidation weight gain, and oxygen distribution profiles in the Zr matrix. The developed model consists of four interconnected sub-models: (1) Transient Cr-coating thickness model. (2) Cr-coating grain boundary density model. (3) ZrO2 oxygen path in the Cr-coating grain boundary model. (4) Cr₂O₃ reduction and oxygen ingress model. At each time step, the model calculates both the Cr-coating thickness and the depth of ZrO₂ paths. When the ZrO₂ path depth exceeds the Cr-coating thickness, the simulation transitions to the Cr₂O₃ layer reduction phase. Once through‑oxide voids form, direct steam ingress and oxygen diffusion along the ZrO₂ paths are initiated; the resulting oxygen flux is imposed as boundary condition for transient oxygen diffusion in the Zr matrix. To capture spatial heterogeneity in microstructural evolution, the system is divided into regions based on grain boundary density, each simulated independently within a Monte Carlo framework. This probabilistic simulation explains the two-stage transition: statistical variations cause a slight initial rate increase from premature failures, while a macroscopic acceleration requires a statistically significant simultaneous failure of regions. The resulting model provides a robust tool for safety assessment, enabling quantitative prediction of cladding oxidation and embrittlement under the prolonged high-temperature steam conditions of various accident scenarios.
{"title":"An integral mechanistic model for the degradation and protection loss of Cr-coated zirconium alloys in steam oxidation environments","authors":"Dongju Kim , Youho Lee","doi":"10.1016/j.corsci.2025.113565","DOIUrl":"10.1016/j.corsci.2025.113565","url":null,"abstract":"<div><div>A mechanistic model to quantitatively predict steam oxidation-induced degradation of chromium (Cr) coatings on zirconium (Zr) alloys and corresponding rapid oxidation was developed and validated by comprehensively modeling each kinetic process responsible for degradation. The model was validated against isothermal oxidation data in the 1100–1300 °C range, in terms of layer thicknesses, oxidation weight gain, and oxygen distribution profiles in the Zr matrix. The developed model consists of four interconnected sub-models: (1) Transient Cr-coating thickness model. (2) Cr-coating grain boundary density model. (3) ZrO<sub>2</sub> oxygen path in the Cr-coating grain boundary model. (4) Cr₂O₃ reduction and oxygen ingress model. At each time step, the model calculates both the Cr-coating thickness and the depth of ZrO₂ paths. When the ZrO₂ path depth exceeds the Cr-coating thickness, the simulation transitions to the Cr₂O₃ layer reduction phase. Once through‑oxide voids form, direct steam ingress and oxygen diffusion along the ZrO₂ paths are initiated; the resulting oxygen flux is imposed as boundary condition for transient oxygen diffusion in the Zr matrix. To capture spatial heterogeneity in microstructural evolution, the system is divided into regions based on grain boundary density, each simulated independently within a Monte Carlo framework. This probabilistic simulation explains the two-stage transition: statistical variations cause a slight initial rate increase from premature failures, while a macroscopic acceleration requires a statistically significant simultaneous failure of regions. The resulting model provides a robust tool for safety assessment, enabling quantitative prediction of cladding oxidation and embrittlement under the prolonged high-temperature steam conditions of various accident scenarios.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113565"},"PeriodicalIF":7.4,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-16DOI: 10.1016/j.corsci.2025.113564
Jinhang Li , Weichen Xu , Rongling Zhang , Liang Fan , Jingying Li , Jizhou Duan , Baorong Hou
Large temperature difference is typical in highlands and mountainous regions, where routine maintenance, monitoring and inspection are costly and difficult. The development of oxide film on HRB400E steel rebars from the initial to mature stages in simulated concrete pore solution has been thoroughly investigated. The electrochemical, compositional and morphological studies of the oxide film have been carried out at temperatures from −7 °C to 30 °C. High temperature disfavors the protectiveness of the oxide film, and the corrosion resistance decreases with the increasing temperature. Three plateaus have been observed during the development of OCP starting from a bare surface at 20 °C and 30 °C but not at lower temperatures. The plateaus have been ascribed to the nucleation, growth of Fe(OH)2 crystals and further oxidation to Fe(III) species. Thick, porous, inhomogeneous and clustered structure was observed at 30 °C, but thin and compact oxide film formed at 10 °C, 0 °C and −7 °C. It is suggested that high temperatures tend to lower the quality of the oxide film in a self-repair process.
{"title":"Oxide film formed on steel rebars in simulated concrete pore solution under large temperature difference – Typical in highlands and mountainous regions","authors":"Jinhang Li , Weichen Xu , Rongling Zhang , Liang Fan , Jingying Li , Jizhou Duan , Baorong Hou","doi":"10.1016/j.corsci.2025.113564","DOIUrl":"10.1016/j.corsci.2025.113564","url":null,"abstract":"<div><div>Large temperature difference is typical in highlands and mountainous regions, where routine maintenance, monitoring and inspection are costly and difficult. The development of oxide film on HRB400E steel rebars from the initial to mature stages in simulated concrete pore solution has been thoroughly investigated. The electrochemical, compositional and morphological studies of the oxide film have been carried out at temperatures from −7 °C to 30 °C. High temperature disfavors the protectiveness of the oxide film, and the corrosion resistance decreases with the increasing temperature. Three plateaus have been observed during the development of OCP starting from a bare surface at 20 °C and 30 °C but not at lower temperatures. The plateaus have been ascribed to the nucleation, growth of Fe(OH)<sub>2</sub> crystals and further oxidation to Fe(III) species. Thick, porous, inhomogeneous and clustered structure was observed at 30 °C, but thin and compact oxide film formed at 10 °C, 0 °C and −7 °C. It is suggested that high temperatures tend to lower the quality of the oxide film in a self-repair process.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113564"},"PeriodicalIF":7.4,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787252","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.corsci.2025.113559
Yingxi Li , Yuji Huang , Fanqiang Meng , Miao Song
Dissolution corrosion of structural materials in liquid lead–bismuth eutectic (LBE) remains challenging for advanced reactors. It is governed by chemical composition and microstructure. Additive manufacturing creates columnar grains, dislocation cells, and segregation, yet their corrosion impact is largely unexplored. Here, additively manufactured (AM) 316L stainless steel (SS) with varied Ni, Cr, Mo, Si, and Ti were fabricated by laser powder bed fusion and tested in as-built and fully recrystallized conditions after 1000 h in LBE at 550℃. Higher Ni favored primary austenite solidification and drove Cr and Mo segregation to dislocation cell boundaries, accelerating penetration along cellular paths. By contrast, additions of Cr, Si, Ti, or Mo shifted solidification toward primary ferrite, suppressed cellular segregation, refined grains, and promoted annealing twins, thereby mitigating preferential penetration. After LBE corrosion, alloys with added Si or Cr formed a continuous Cr-rich oxide scale, reducing ingress, and Ti alloying produced a duplex oxide with a Ti-rich outer layer and a Cr-rich inner layer that further blocked transport. Conversely, Mo impaired passivation and hindered continuous Cr-rich oxide formation, enabling ingress along random high angle grain boundaries and melt pool boundaries, and producing the deepest penetration. Full recrystallization across all compositions homogenized grain structures, increased low-energy twin boundaries, and reduced penetration depth. These findings demonstrate that raising Si and Cr while limiting Ni and Mo improves corrosion resistance in LBE, and Ti provides additional benefits through duplex oxide formation and grain refinement. Our work explores the compositional and microstructural space of AM 316L to improve resistance to LBE-induced dissolution.
{"title":"Liquid lead-bismuth eutectic corrosion of additively manufactured 316L stainless steels","authors":"Yingxi Li , Yuji Huang , Fanqiang Meng , Miao Song","doi":"10.1016/j.corsci.2025.113559","DOIUrl":"10.1016/j.corsci.2025.113559","url":null,"abstract":"<div><div>Dissolution corrosion of structural materials in liquid lead–bismuth eutectic (LBE) remains challenging for advanced reactors. It is governed by chemical composition and microstructure. Additive manufacturing creates columnar grains, dislocation cells, and segregation, yet their corrosion impact is largely unexplored. Here, additively manufactured (AM) 316L stainless steel (SS) with varied Ni, Cr, Mo, Si, and Ti were fabricated by laser powder bed fusion and tested in as-built and fully recrystallized conditions after 1000 h in LBE at 550℃. Higher Ni favored primary austenite solidification and drove Cr and Mo segregation to dislocation cell boundaries, accelerating penetration along cellular paths. By contrast, additions of Cr, Si, Ti, or Mo shifted solidification toward primary ferrite, suppressed cellular segregation, refined grains, and promoted annealing twins, thereby mitigating preferential penetration. After LBE corrosion, alloys with added Si or Cr formed a continuous Cr-rich oxide scale, reducing ingress, and Ti alloying produced a duplex oxide with a Ti-rich outer layer and a Cr-rich inner layer that further blocked transport. Conversely, Mo impaired passivation and hindered continuous Cr-rich oxide formation, enabling ingress along random high angle grain boundaries and melt pool boundaries, and producing the deepest penetration. Full recrystallization across all compositions homogenized grain structures, increased low-energy twin boundaries, and reduced penetration depth. These findings demonstrate that raising Si and Cr while limiting Ni and Mo improves corrosion resistance in LBE, and Ti provides additional benefits through duplex oxide formation and grain refinement. Our work explores the compositional and microstructural space of AM 316L to improve resistance to LBE-induced dissolution.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113559"},"PeriodicalIF":7.4,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787146","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A smart protective coating with hierarchical self-warning and self-healing functions was developed by incorporating polyurethane/poly-(urea formaldehyde) (PUF) microcapsules loaded with anthocyanin (Anth) into a semi-interpenetrating polymer network (semi-IPN). The semi-IPN consists of hydrogen-bonded polyurethane (PU) and rigid epoxy resin (EP) network. The released anthocyanin not only provides distinct chromatic responses but also adsorbs onto the Mg surface to form protective complexes, exhibiting an inhibition efficiency of 94 %. XPS analysis elucidates the interfacial corrosion inhibition mechanism. This “one-molecule, multi-function” strategy offers a simplified method for achieving hierarchical functions against coating damage and substrate corrosion, showing significant potential for smart coatings.
{"title":"Chameleon skin-inspired smart coating with hierarchical self-warning/self-healing functions for sequential damage-to-corrosion protection","authors":"Yixin Chen , Zhiqiang Gao , Qian Wang , Lifeng Hou , Yinghui Wei","doi":"10.1016/j.corsci.2025.113561","DOIUrl":"10.1016/j.corsci.2025.113561","url":null,"abstract":"<div><div>A smart protective coating with hierarchical self-warning and self-healing functions was developed by incorporating polyurethane/poly-(urea formaldehyde) (PUF) microcapsules loaded with anthocyanin (Anth) into a semi-interpenetrating polymer network (semi-IPN). The semi-IPN consists of hydrogen-bonded polyurethane (PU) and rigid epoxy resin (EP) network. The released anthocyanin not only provides distinct chromatic responses but also adsorbs onto the Mg surface to form protective complexes, exhibiting an inhibition efficiency of 94 %. XPS analysis elucidates the interfacial corrosion inhibition mechanism. This “one-molecule, multi-function” strategy offers a simplified method for achieving hierarchical functions against coating damage and substrate corrosion, showing significant potential for smart coatings.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113561"},"PeriodicalIF":7.4,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.corsci.2025.113560
Zishuo Ye , Shu Xiao , Hu Zhang , Luzhan Zhang , Qingdong Ruan , Chao Yang , Xiaoqin Zeng , Paul K. Chu
Stepwise plasma electrolytic fluorination (PEF) enhances the corrosion resistance of AZ91 magnesium (Mg) alloys in acidic fluoride environments by forming dense MgO/MgF2 composite coatings. The thermodynamically favored MgF2 formation and volume expansion seal surface defects and compensate for the weakness of oxide coatings. Molecular dynamics and density-functional theory calculations reveal that the more robust diffusion barriers, weak adsorption, and reduced electron transfer collectively inhibit fluorine corrosion. Additionally, strengthening of the interface-regulated corrosion product barrier alleviates internal stresses, prevents crack propagation, and preserves the structural integrity. The synergistic effects improve the coating durability and corrosion protection under aggressive acidic fluoride conditions.
{"title":"Self-adaptive growth of fluorine-resistant coatings on magnesium alloy by in situ fluorine-induced phase reconstruction","authors":"Zishuo Ye , Shu Xiao , Hu Zhang , Luzhan Zhang , Qingdong Ruan , Chao Yang , Xiaoqin Zeng , Paul K. Chu","doi":"10.1016/j.corsci.2025.113560","DOIUrl":"10.1016/j.corsci.2025.113560","url":null,"abstract":"<div><div>Stepwise plasma electrolytic fluorination (PEF) enhances the corrosion resistance of AZ91 magnesium (Mg) alloys in acidic fluoride environments by forming dense MgO/MgF<sub>2</sub> composite coatings. The thermodynamically favored MgF<sub>2</sub> formation and volume expansion seal surface defects and compensate for the weakness of oxide coatings. Molecular dynamics and density-functional theory calculations reveal that the more robust diffusion barriers, weak adsorption, and reduced electron transfer collectively inhibit fluorine corrosion. Additionally, strengthening of the interface-regulated corrosion product barrier alleviates internal stresses, prevents crack propagation, and preserves the structural integrity. The synergistic effects improve the coating durability and corrosion protection under aggressive acidic fluoride conditions.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113560"},"PeriodicalIF":7.4,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-14DOI: 10.1016/j.corsci.2025.113558
Decang Zhang , Xiaoxin Zhang , Jun Zhang , Hao Ren , Yingxue Chen , Feifei Zhang , Qingzhi Yan
Alumina-forming austenitic (AFA) steel shows promise due to its enhanced corrosion resistance. However, the effect of temperature on its corrosion behavior in lead-bismuth eutectic (LBE) remains poorly understood. In this study, AFA steel was exposed to LBE 10−6 wt% oxygen at 550, 600, and 650°C for 1700 h, and the detailed structure of the oxide scales was revealed by high-resolution characterization. At 550°C, a three-layer magnetite/Fe-Cr spinel/alumina scale was formed. As the temperature increased to 600°C, a chromia/alumina scale was developed due to Al being supplied by NiAl dissociation. At a further increased temperature of 650°C, the oxide scale became non-protective, thus LBE penetrated through the oxide scale into the underlying steel, causing the corrosion mode to shift from oxidation to discontinuous dissolution.
{"title":"Temperature-dependent oxide scale structure and corrosion behavior in alumina-forming austenitic steel exposed to liquid lead-bismuth eutectic containing 10−6 wt.% oxygen","authors":"Decang Zhang , Xiaoxin Zhang , Jun Zhang , Hao Ren , Yingxue Chen , Feifei Zhang , Qingzhi Yan","doi":"10.1016/j.corsci.2025.113558","DOIUrl":"10.1016/j.corsci.2025.113558","url":null,"abstract":"<div><div>Alumina-forming austenitic (AFA) steel shows promise due to its enhanced corrosion resistance. However, the effect of temperature on its corrosion behavior in lead-bismuth eutectic (LBE) remains poorly understood. In this study, AFA steel was exposed to LBE 10<sup>−6</sup> wt% oxygen at 550, 600, and 650°C for 1700 h, and the detailed structure of the oxide scales was revealed by high-resolution characterization. At 550°C, a three-layer magnetite/Fe-Cr spinel/alumina scale was formed. As the temperature increased to 600°C, a chromia/alumina scale was developed due to Al being supplied by NiAl dissociation. At a further increased temperature of 650°C, the oxide scale became non-protective, thus LBE penetrated through the oxide scale into the underlying steel, causing the corrosion mode to shift from oxidation to discontinuous dissolution.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113558"},"PeriodicalIF":7.4,"publicationDate":"2025-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-14DOI: 10.1016/j.corsci.2025.113557
Ziqiang Dong , Xiaodong Yu , Qiliang Huang , Lei Dai , Zhengkun Mou , Chao Zhou , Hongyu Zhou , Yinsheng He , Wenyue Zheng , Lei Jin
The NbTiZr-containing refractory high-entropy alloys (RHEAs) are considered as promising materials for ultra-high-temperature engineering applications. However, their development is limited by inadequate oxidation resistance at elevated temperatures. In this work, the oxidation behavior of NbTiZr-containing RHEAs was investigated using a Machine Learning (ML) integrated approach. Among the classic ML algorithms evaluated, XGBoost demonstrates the highest prediction accuracy (R2 = 0.91). The interpretability of the ML model was enhanced using the SHAP (Shapley Additive Explanations) algorithm, which identified V, Mo, Nb, Zr, Al, Cr, Ta, Ti, Si, Hf, and W—ranked in descending order of influence—as the key elements governing the oxidation behavior of RHEAs. The results show that Cr, Si, Al, Ta, and Mo are the beneficial elements that improve the oxidation resistance, while Ti, Nb, V, and Zr impair it. Threshold content levels are observed for the different elements, beyond which the alloying effect becomes significant. The ML calculations revealed that excessive amounts of Ti or Zr impair the oxidation resistance of NbTiZr-containing RHEAs more evidently than that of Nb. Among the beneficial elements (Al, Cr, Si), Al shows the strongest positive effects. Al and Cr also demonstrate a strong synergistic effect in improving the oxidation resistance. Based on the ML results, the RHEAs with the composition of CrNbTiZrAl0.2Six (x = 0, 0.2 and 0.5) were designed, and their oxidation behavior in high-temperature air was comprehensively investigated.
{"title":"Machine learning-guided optimization of oxidation resistance in NbTiZr-containing refractory high-entropy alloys","authors":"Ziqiang Dong , Xiaodong Yu , Qiliang Huang , Lei Dai , Zhengkun Mou , Chao Zhou , Hongyu Zhou , Yinsheng He , Wenyue Zheng , Lei Jin","doi":"10.1016/j.corsci.2025.113557","DOIUrl":"10.1016/j.corsci.2025.113557","url":null,"abstract":"<div><div>The NbTiZr-containing refractory high-entropy alloys (RHEAs) are considered as promising materials for ultra-high-temperature engineering applications. However, their development is limited by inadequate oxidation resistance at elevated temperatures. In this work, the oxidation behavior of NbTiZr-containing RHEAs was investigated using a Machine Learning (ML) integrated approach. Among the classic ML algorithms evaluated, XGBoost demonstrates the highest prediction accuracy (R<sup>2</sup> = 0.91). The interpretability of the ML model was enhanced using the SHAP (Shapley Additive Explanations) algorithm, which identified V, Mo, Nb, Zr, Al, Cr, Ta, Ti, Si, Hf, and W—ranked in descending order of influence—as the key elements governing the oxidation behavior of RHEAs. The results show that Cr, Si, Al, Ta, and Mo are the beneficial elements that improve the oxidation resistance, while Ti, Nb, V, and Zr impair it. Threshold content levels are observed for the different elements, beyond which the alloying effect becomes significant. The ML calculations revealed that excessive amounts of Ti or Zr impair the oxidation resistance of NbTiZr-containing RHEAs more evidently than that of Nb. Among the beneficial elements (Al, Cr, Si), Al shows the strongest positive effects. Al and Cr also demonstrate a strong synergistic effect in improving the oxidation resistance. Based on the ML results, the RHEAs with the composition of CrNbTiZrAl<sub>0.2</sub>Si<sub>x</sub> (x = 0, 0.2 and 0.5) were designed, and their oxidation behavior in high-temperature air was comprehensively investigated.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113557"},"PeriodicalIF":7.4,"publicationDate":"2025-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-13DOI: 10.1016/j.corsci.2025.113554
P. Weerakkody, A. Al Helal, K. Wang
This study investigates the reaction kinetics of API 5CT C110 carbon steel dissolution in different acidic environments using electrochemical techniques. An optimal analysis time was determined, outside the active material dissolution and transient regions. Electrochemical impedance spectroscopy (EIS) at open-circuit potential revealed two distinct reaction time steps in the different acidic environments. The effects of anion concentrations on the reaction mechanisms were determined under accelerated anodic conditions. The findings demonstrate that reaction rates are influenced by the interdependence between surface potential and solution species. An alternative numerical modelling approach was developed for EIS data analysis, achieving an accuracy of 98.8 % for a three-time-step model, representing a previously unreported mechanistic step. Furthermore, the model accounts for the reactant concentrations that influence the reaction rates. This method improves accuracy, simplifies parameter optimisation, and enhances interpretability compared to conventional equivalent circuit fitting.
{"title":"Iron dissolution kinetics of API 5CT C110 carbon steel in acidic environments: A numerical modelling approach","authors":"P. Weerakkody, A. Al Helal, K. Wang","doi":"10.1016/j.corsci.2025.113554","DOIUrl":"10.1016/j.corsci.2025.113554","url":null,"abstract":"<div><div>This study investigates the reaction kinetics of API 5CT C110 carbon steel dissolution in different acidic environments using electrochemical techniques. An optimal analysis time was determined, outside the active material dissolution and transient regions. Electrochemical impedance spectroscopy (EIS) at open-circuit potential revealed two distinct reaction time steps in the different acidic environments. The effects of anion concentrations on the reaction mechanisms were determined under accelerated anodic conditions. The findings demonstrate that reaction rates are influenced by the interdependence between surface potential and solution species. An alternative numerical modelling approach was developed for EIS data analysis, achieving an accuracy of 98.8 % for a three-time-step model, representing a previously unreported mechanistic step. Furthermore, the model accounts for the reactant concentrations that influence the reaction rates. This method improves accuracy, simplifies parameter optimisation, and enhances interpretability compared to conventional equivalent circuit fitting.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113554"},"PeriodicalIF":7.4,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号