Corrosion SciencePub Date : 2025-09-03DOI: 10.1016/j.corsci.2025.113290
Fangming Wang , Kai Xu , Xiaofei Hu , Ming Lou , Kazuhito Nishimura , Keke Chang
{"title":"Eutectics, oxide scales and solubility limits: Understanding divergent oxidation mechanisms in NiAlYX (X = Si, Ta, Nb, and Ti) alloys for marine applications","authors":"Fangming Wang , Kai Xu , Xiaofei Hu , Ming Lou , Kazuhito Nishimura , Keke Chang","doi":"10.1016/j.corsci.2025.113290","DOIUrl":"10.1016/j.corsci.2025.113290","url":null,"abstract":"<div><div>Conventional Cr-containing Ni-based alloys or alloy coatings often suffer from corrosion failure in marine environments, where NaCl compromises the stability of Cr<sub>2</sub>O<sub>3</sub> and the degradation of γ' to γ. To address this challenge, we designed Cr-free, γ' phase-dominated NiAlY<em>X</em> (<em>X</em> = Si, Ta, Nb, and Ti) alloys via the CALPHAD (CALculation of PHAse Diagrams) approach and revealed contrasting roles of dopants by coupling <em>ab initio</em> calculations<em>,</em> thermodynamic calculations, and experimental analyses. As dopants increase, NiAlYTa/Nb/Ti alloys develop oxidation-susceptible (Ni, Al, <em>X</em>)<sub>5</sub>Y + β + γ' eutectic microstructures. In contrast, NiAlYSi alloy lacks these eutectics due to a high fraction of γ' precipitates. After oxidation, the NiAlYSi alloy exhibited excellent oxidation resistance, attributed to the formation of a continuous Al<sub>2</sub>O<sub>3</sub> layer promoted by Si and the modification of oxidation behavior of the (Ni, Al, Si)<sub>5</sub>Y phase by stabilizing Y<sub>2</sub>SiO<sub>5</sub> and Y<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>. These resulted in the generation of a thinner NiO outer layer and inhibited internal phase oxidation. In contrast, NiAlYTa/Nb/Ti alloys failed to promote the formation of a continuous Al<sub>2</sub>O<sub>3</sub> layer, resulting in internal oxidation zones characterized by γ + Al<sub>2</sub>O<sub>3</sub> + Ta<sub>2</sub>O<sub>5</sub>/Nb<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> and thickening of the outer NiO layer, as synergistically validated by experimental observations, <em>ab initio</em> analysis, and potential-composition phase diagrams. The negligible solid solubility of Ta/Nb/Ti in (Ni, Al, X)<sub>5</sub>Y phases renders them ineffective in altering the oxidation behavior. This work reveals Si as a promising Cr-free substitute in marine-grade Ni-based alloys, while emphasizing the importance of controlling eutectic structures and dopant solubility for high-temperature oxidation resistance.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113290"},"PeriodicalIF":7.4,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145004364","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}
Corrosion SciencePub Date : 2025-09-02DOI: 10.1016/j.corsci.2025.113285
Shuwen Shao , Mingzhi Guo , Yan Zhang
{"title":"Passivation and corrosion behavior of LDSS 2101 in calcium sulfoaluminate cements with different temperatures","authors":"Shuwen Shao , Mingzhi Guo , Yan Zhang","doi":"10.1016/j.corsci.2025.113285","DOIUrl":"10.1016/j.corsci.2025.113285","url":null,"abstract":"<div><div>Calcium Sulfoaluminate cement (CSA) is more suitable than Ordinary Portland cement (OPC) for emergency repair and protection engineering due to its rapid hardening and high early strength. However, the low alkalinity of CSA and the complex temperature environment can accelerate steel corrosion. This study investigates the feasibility of lean duplex stainless steel 2101 (LDSS 2101) as an economic-techno substitute for 304 stainless steels (304SS) and low-carbon (LC) steel in CSA systems. Considering the complex temperature variations, seven temperature-controlled CSA pore solutions were prepared, including four constant temperature (5℃, 20℃, 55℃ and 80℃) and three alternating temperatures (5–55°C, 20–55°C and 5–80°C). The OPC pore solutions were also prepared as a comparison. The passivation behavior of LDSS 2101 in CSA and OPC pore solution at different temperatures was investigated through various electrochemical testing and surface analysis techniques. LDSS 2101 could form passivation films in CSA and OPC solutions at different temperatures, and the Al element promoted the formation of a more protective and thicker passivation film in the CSA solution compared to the OPC solution. Accordingly, compared with OPC solution, the corrosion resistance of LDSS 2101 in CSA solution was improved even in harsh corrosive environments. Notably, the durability of LDSS 2101 was similar to that of 304SS while maintaining economical. LDSS 2101 with lower Ni content can serve as an economical alternative to austenitic stainless steel for CSA systems at various service temperatures, which is particularly significant for enhancing durability and saving life cycle costs in emergency repair engineering utilizing CSA in extreme working conditions.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113285"},"PeriodicalIF":7.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144932573","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}
Corrosion SciencePub Date : 2025-09-02DOI: 10.1016/j.corsci.2025.113288
Wande Cairang , Fuzhu Liu , Tianshu Li , Zhicheng Zhang , Jian Zhang , Weiyue Zhou , Yuqing Zhou , Tao Li , Michael P. Short , Dezhen Xue , Xiangdong Ding , Jun Sun
{"title":"Ar+ irradiation improves passivation of molybdenum in aqueous solution","authors":"Wande Cairang , Fuzhu Liu , Tianshu Li , Zhicheng Zhang , Jian Zhang , Weiyue Zhou , Yuqing Zhou , Tao Li , Michael P. Short , Dezhen Xue , Xiangdong Ding , Jun Sun","doi":"10.1016/j.corsci.2025.113288","DOIUrl":"10.1016/j.corsci.2025.113288","url":null,"abstract":"<div><div>Long-term oxidation of metals is often accelerated by simultaneous ionizing irradiation. However, this may not always be the case in the early phase of oxide formation, particularly in an aqueous environment. In this study, we observed that Ar<sup>+</sup> irradiation <em>enhances</em> molybdenum (Mo) passivation in an aerated 3.5 wt% NaCl solution, slowing further corrosion of Mo. This enhancement of passivation was confirmed by electrochemical measurements, where the potentiodynamic polarization curve for irradiated Mo exhibited well-defined passivation region, in contrast to the dissolution-like behavior observed in non-irradiated Mo. Characterization of the oxide revealed a thin (tens of nanometers), uniform passive film on irradiated Mo, compared to a micron-thick, non-uniform oxide formed on non-irradiated Mo. We attribute this irradiation-enhanced passivation to the irradiation-induced defects near or on the surface, which provide excess nucleation sites for oxide and promote rapid initial oxide formation, thereby leading to a more protective passive film that mitigates further oxidation. Both experiments and DFT calculations confirm that oxygen adsorbs more strongly to the surface of Mo after Ar⁺ irradiation, indicating its enhanced oxidation tendency. These findings provide valuable insights into the effects of irradiation on passivation of metals, particularly those that do not naturally exhibit strong passivation.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113288"},"PeriodicalIF":7.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145019391","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}
Corrosion SciencePub Date : 2025-09-02DOI: 10.1016/j.corsci.2025.113286
Shouwen Shi , Wei Huang , Gaoyuan Xie , Zichun Wu , Qiang Lin , Gang Chen , Xu Chen
{"title":"Liquid lead-bismuth eutectic enhanced intrusion/extrusion formation and early crack initiation in T91 steel under low-cycle fatigue","authors":"Shouwen Shi , Wei Huang , Gaoyuan Xie , Zichun Wu , Qiang Lin , Gang Chen , Xu Chen","doi":"10.1016/j.corsci.2025.113286","DOIUrl":"10.1016/j.corsci.2025.113286","url":null,"abstract":"<div><div>The fatigue life of T91 steel in liquid lead-bismuth eutectic (LBE) environment is significantly reduced by the liquid metal embrittlement (LME) effect. While most studies focus on the fatigue crack propagation behavior, the fatigue initiation mechanisms influenced by the LME effect is less explored and unclear, especially at the early stage where localized plasticity predominates. In this study, full-life low-cycle fatigue and interrupted fatigue experiments were carried out on T91 steel at 350 °C and the stress amplitude of 360 MPa, in both air and oxygen-saturated (OS) LBE. The density, length, and severity of extrusions/intrusions in liquid LBE is found to be significantly higher than those in air, suggesting that LME affects fatigue initiation by promoting localized plasticity (e.g. extrusions/intrusions formation). Intrusions and extrusions in OS LBE predominantly occur within grain interiors characterized by higher dislocation density beneath the surface and preferential Pb-Bi infiltration. Enhanced dislocation mobility accelerates LME through two synergistic pathways: vacancy generation via dislocation interactions enables Pb-Bi penetration, and dislocation-mediated plasticity facilitates surface adsorption. Therefore, the enhanced formation of intrusions/extrusions in liquid LBE can be primarily attributed to a synergistic mechanism involving adsorption-induced reduction in cohesion, adsorption-enhanced dislocation emission, and dislocation-facilitated Pb atom infiltration. In addition, while the oxide film preserves the structural integrity, oxidation simultaneously degrades both the substrate material and intrusion tips, accelerating the evolution of the intrusion towards initial crack.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113286"},"PeriodicalIF":7.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145010561","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}
Corrosion SciencePub Date : 2025-09-02DOI: 10.1016/j.corsci.2025.113287
Chao Chen , Tiaobing Xiao , Yizhou Li , Zhongyu Cui , Hongzhi Cui
{"title":"The effect of fluoride ion on crevice corrosion of Ti-6Al-3Nb-2Zr-1Mo alloy in NaCl solution","authors":"Chao Chen , Tiaobing Xiao , Yizhou Li , Zhongyu Cui , Hongzhi Cui","doi":"10.1016/j.corsci.2025.113287","DOIUrl":"10.1016/j.corsci.2025.113287","url":null,"abstract":"<div><div>This study investigates crevice corrosion behavior of Ti-6Al-3Nb-2Zr-1Mo alloy in solution with various NaF concentrations, revealing spontaneous passivation at 0–0.2 M NaF and active dissolution at 0.5 M NaF. While demonstrating superior crevice corrosion resistance in F⁻-free environments, the alloy becomes highly susceptible in F⁻-containing solutions. Crevice structure substantially lowers F⁻ critical corrosion threshold and shifts phase-dependent degradation modes: β-phase dissolution dominates in bulk solutions with 0.5 M F⁻, whereas crevice conditions preferentially attack α-phase. These effects are attributed to localized acidification, F⁻ enrichment, and oxygen depletion of crevice environment, which accelerates passive film dissolution and hinders repassivation processes, fundamentally altering the alloy corrosion dynamics inside crevice.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113287"},"PeriodicalIF":7.4,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989296","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}
Corrosion SciencePub Date : 2025-08-31DOI: 10.1016/j.corsci.2025.113283
Qian Li , Jia Wei , Yuqi Xie , Yingbo Li , Junkai Liu
{"title":"Oxidation-assisted fatigue crack initiation and propagation mechanism in CoCrAlY-coated superalloy under high temperature","authors":"Qian Li , Jia Wei , Yuqi Xie , Yingbo Li , Junkai Liu","doi":"10.1016/j.corsci.2025.113283","DOIUrl":"10.1016/j.corsci.2025.113283","url":null,"abstract":"<div><div>The low-cycle fatigue behavior of CoCrAlY-coated superalloy was studied at 900 °C in air. The investigation focused on the influence of strain amplitude and annealing treatment on fatigue life, with particular attention to the role of oxidation in promoting crack propagation. Surface oxidation of the coating resulted in the formation of Al-depleted layer, which facilitated initiation fatigue crack initiation. At the crack tip within coating or substrate, oxidation-induced β/γ'→γ transformation accelerated crack propagation. The coating/substrate interface effectively hinders crack growth. In addition, annealing treatment softened the material and reduced the stress amplitude, which decreased crack initiation but accelerated crack growth.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113283"},"PeriodicalIF":7.4,"publicationDate":"2025-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922545","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}
Corrosion SciencePub Date : 2025-08-30DOI: 10.1016/j.corsci.2025.113284
Gaoyuan Ouyang , Olena Palasyuk , Prashant Singh , Dishant Beniwal , Vinay Deodeshmukh , Pratik K. Ray , Matthew J. Kramer
{"title":"The microscopic mechanisms of high temperature oxidation of Haynes 282","authors":"Gaoyuan Ouyang , Olena Palasyuk , Prashant Singh , Dishant Beniwal , Vinay Deodeshmukh , Pratik K. Ray , Matthew J. Kramer","doi":"10.1016/j.corsci.2025.113284","DOIUrl":"10.1016/j.corsci.2025.113284","url":null,"abstract":"<div><div>Nickel-based superalloy finds widespread applications in aerospace and extreme environments. They are known for their high temperature oxidation resistance under extended periods. However, the oxide formation and evolution which sets the stages for the later parabolic oxidation kinetics is not fully understood. This paper aims to provide new insights into the transient stage oxidation mechanism and kinetics of a typical Ni-based superalloy (Haynes 282). While tracking the chemical and microstructural evolution under micrometer scale at 800°C, we show that the oxide scale and its grain boundary species change significantly during the initial stages of oxidation and can have a profound impact on the oxidation kinetics. Cr<sub>2</sub>O<sub>3</sub> forms initially at the grain boundary along with minor amount of Al<sub>2</sub>O<sub>3</sub>. Then, the grain boundary region is enriched with copious amounts TiO<sub>2</sub> while Cr migrates away from the grain boundary. A noticeable change in the isothermal oxidation kinetics observed likely results from a mechanistic change from uniform surface oxidation to preferential outward diffusion of Ti<sup>4 +</sup> ions through the grain boundary. Through first-principles calculations combined with energy dispersive spectroscopy, we confirmed the preferential outward diffusion of Ti<sup>4+</sup> ions as the diffusion barrier is lower for Ti than Cr along the grain boundaries. These findings highlight the critical role of early-stage grain boundary oxidation dynamics in dictating the long-term oxidation resistance of Ni-based superalloys and provide a foundation for future strategies to enhance their performance in extreme environments.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113284"},"PeriodicalIF":7.4,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144996552","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}
Corrosion SciencePub Date : 2025-08-30DOI: 10.1016/j.corsci.2025.113282
Thomas Pogrielz , Juraj Todt , Adam Weiser , Milan Jary , Antonin Dlouhy , Dominik Brandl , Gerald Ressel , Verena Maier-Kiener , Anton Hohenwarter , Jozef Keckes
{"title":"Hydrogen permeation into duplex steel under compressive and tensile stresses: Symmetric lattice swelling and asymmetric stress redistribution","authors":"Thomas Pogrielz , Juraj Todt , Adam Weiser , Milan Jary , Antonin Dlouhy , Dominik Brandl , Gerald Ressel , Verena Maier-Kiener , Anton Hohenwarter , Jozef Keckes","doi":"10.1016/j.corsci.2025.113282","DOIUrl":"10.1016/j.corsci.2025.113282","url":null,"abstract":"<div><div>A fundamental understanding of how mechanical stress influences hydrogen diffusion is essential for developing strategies to mitigate hydrogen embrittlement of structural materials. This study investigates the effect of externally applied stress on hydrogen uptake in 2205 duplex stainless steel, an industrially relevant material with a heterogeneous, dual-phase microstructure. A four-point bent sample is subjected to in-situ electrolytic hydrogen charging for four hours while being analyzed via high-energy synchrotron cross-sectional X-ray micro-diffraction, enabling time- and depth-resolved characterization of strain-free lattice parameters and internal stresses. The results reveal symmetric lattice expansion within the tensile- and compressively-stressed sample regions in both ferrite and austenite phases to a depth of ∼100 μm. This lattice swelling shifts the in-plane stress components toward more compressive levels within the hydrogen-affected regions. As a result, tensile stresses are relaxed and compressive stresses moderately increase on respective sides of the sample, as verified by finite element simulations. The findings call into question models suggesting that the surface treatments and compressive residual stresses can be used to reduce hydrogen ingress into metals.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113282"},"PeriodicalIF":7.4,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989295","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}
Corrosion SciencePub Date : 2025-08-28DOI: 10.1016/j.corsci.2025.113280
Zhiguo Jiao , Guozheng Xiao , Chao Wang , Xinhui Li , Feng Liu , Shiying Liu , Fan Zhang , Zhanjie Wang
{"title":"Tuning structure and CMAS corrosion behavior in high-entropy RE disilicate via average RE3+ ionic radius","authors":"Zhiguo Jiao , Guozheng Xiao , Chao Wang , Xinhui Li , Feng Liu , Shiying Liu , Fan Zhang , Zhanjie Wang","doi":"10.1016/j.corsci.2025.113280","DOIUrl":"10.1016/j.corsci.2025.113280","url":null,"abstract":"<div><div>This study employed the average RE<sup>3+</sup> ionic radius as a key design parameter to simultaneously tailor the microstructure and CMAS corrosion behavior of high-entropy RE disilicates (Gd<sub>x1</sub>Y<sub>x2</sub>Er<sub>x3</sub>Yb<sub>x4</sub>Lu<sub>x5</sub>)<sub>2</sub>Si<sub>2</sub>O<sub>7</sub> (x1 + x2 + x3 + x4 + x5 = 1, (5RE<sub>xi</sub>)<sub>2</sub>Si<sub>2</sub>O<sub>7</sub>) as environmental barrier coating (EBC) materials. Precise tuning of the average RE<sup>3+</sup> ionic radius directly can govern the phase component and lattice distortion. Increasing the average ionic radius can induce a β→γ→δ phase transformation in high-entropy RE disilicates, with critical transition radii at the β/γ and γ/δ phase boundaries of 0.886 and 0.9 Å, respectively, while simultaneously reducing lattice distortion. All (5RE<sub>xi</sub>)<sub>2</sub>Si<sub>2</sub>O<sub>7</sub> compositions exhibited superior CMAS corrosion resistance at 1300 °C. This resistance stems from a dense cyclosilicate barrier layer formed at the corrosion front via a reaction-precipitation mechanism, effectively suppressing CMAS attack. The efficacy of barrier layer formation is intrinsically linked to the radius-controlled microstructures, including phase stability, RE-O bond length, and lattice distortion. However, at ultrahigh-temperature of 1500 °C, CMAS corrosion involved both grain boundary corrosion and grain dissolution. The dominant corrosion mode shifted gradually from grain boundary corrosion to grain dissolution as the average RE<sup>3+</sup> ionic radius increased. Thus, the average RE<sup>3+</sup> ionic radius served as a fundamental descriptor linking microstructure to CMAS corrosion behavior. These findings establish a vital theoretical framework for designing the composition of high-entropy RE disilicates as next-generation EBC materials.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113280"},"PeriodicalIF":7.4,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144922544","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}
Corrosion SciencePub Date : 2025-08-27DOI: 10.1016/j.corsci.2025.113279
Xin-Yu Ye , Tao Fan , Xian-Ze Meng , Ren-Ci Liu , Jun-Yue Liang , Hong-Ji Wan , Hao-Jie Yan , Qing-Qing Sun , Lian-Kui Wu , Fa-He Cao
{"title":"Unveiling the role of grain/phase boundaries on the oxidation behavior of γ-TiAl alloy: An experiment and DFT study","authors":"Xin-Yu Ye , Tao Fan , Xian-Ze Meng , Ren-Ci Liu , Jun-Yue Liang , Hong-Ji Wan , Hao-Jie Yan , Qing-Qing Sun , Lian-Kui Wu , Fa-He Cao","doi":"10.1016/j.corsci.2025.113279","DOIUrl":"10.1016/j.corsci.2025.113279","url":null,"abstract":"<div><div>The oxidation resistance of TiAl alloys is critically influenced by their microstructure, yet the roles of grain boundaries (GBs) and phase boundaries (PBs) remain poorly understood and debated. To address this knowledge gap, this work systematically investigated the oxidation behaviors across four characteristic TiAl microstructures, including fully lamellar (FL), near-lamellar (NL), duplex (DP), and near-γ (NG) at 800–1000 °C through integrated experiments and density functional theory (DFT) calculations. Experimental results demonstrate that reducing the density of GBs and PBs significantly improves oxidation resistance at 1000 °C, with the performance ranking as NG > DP > FL > NL. DFT calculations elucidate the underlying mechanisms, demonstrating preferential oxygen adsorption at both GBs and PBs due to localized charge redistribution. Notably, 66.7 % of PBs adsorption sites are low-energy sites (<em>E</em><sub>ads</sub> < −5.5 eV), compared to only 31.0 % for GBs. These insights resolve long-standing debates on boundary-dominated oxidation mechanisms and provide a theoretical basis for microstructure design in high-performance TiAl alloys.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113279"},"PeriodicalIF":7.4,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144912900","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}