Corrosion Science最新文献

{"title":"Thermal expansion mismatch-induced in situ self-assembly design of gradient coatings: 1700 ℃ oxidation protection and oxygen barrier enhancement mechanism of borosilicate-modified ZrB2-MoSi2-BSG gradient composite coatings","authors":"Xiang Ji ,&nbsp;Jun Zhao ,&nbsp;Xuanru Ren ,&nbsp;Zhichao Shang ,&nbsp;Chengshan Ji ,&nbsp;Peipei Wang ,&nbsp;Yi Sun ,&nbsp;Philipp V. Kiryukhantsev-Korneev ,&nbsp;Evgeny A. Levashov ,&nbsp;Xueqin Kang ,&nbsp;Baojing Zhang ,&nbsp;Ping Zhang ,&nbsp;Xiaohong Wang ,&nbsp;Junfei Peng ,&nbsp;Junfeng Wang ,&nbsp;Leihua Xu ,&nbsp;Peizhong Feng","doi":"10.1016/j.corsci.2025.113581","DOIUrl":"10.1016/j.corsci.2025.113581","url":null,"abstract":"<div><div>To enhance the high-temperature oxidation resistance of carbon-based materials through optimized ceramic coating structures, a borosilicate glass (BSG)-modified ZrB₂-MoSi₂-BSG gradient composite coating was successfully fabricated via in-situ self-assembly induced by thermal expansion mismatch. The influence of densification temperature on the oxygen-blocking microstructure and oxidation resistance of the composite coating was systematically investigated. Results indicate that when the densification temperature exceeds 1300 ℃, a gradient oxygen-blocking structure is formed via self-assembly during high-temperature oxidation protection. With increasing densification temperature, the interfacial bonding strength between the coating and the substrate initially increases and then decreases, reaching an optimum performance at a specific temperature. The maximum bonding strength achieved was 84.6 N, accompanied by a minimal oxidation weight gain of 0.24 × 10⁻² g·cm⁻² after 100 min at 1700 ℃. Additionally, the oxygen transmission rate was as low as 0.04 %, the carbon loss rate was 0.13 × 10⁻⁶ g·cm⁻²·s⁻¹, and the cumulative protection efficiency reached 99.95 %. However, further increasing the sintering temperature leads to excessive accumulation of self-assembled SiO₂ layers at the coating interface, resulting in structural defects such as pores and cracks within the coating. These defects provide pathways for oxygen permeation, thereby degrading the oxidation resistance of the coating. This study demonstrates that thermal expansion mismatch can be effectively utilized to induce gradient in-situ self-assembly in BSG-modified ZrB₂-MoSi₂ composite coatings, enabling effective regulation of glass phase distribution and interfacial structure through optimized sintering temperatures. This approach provides a viable strategy for the controllable structural design and highly efficient oxygen-blocking protection of ultra-high temperature ceramic coatings.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113581"},"PeriodicalIF":7.4,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880114","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}

{"title":"Distinct corrosion behaviors and mechanisms of Pt/Ti anodes in molten carbonates induced by Cl- and F- impurities","authors":"Lei Guo ,&nbsp;Kaifa Du ,&nbsp;Xiang Chen ,&nbsp;Wenmiao Li ,&nbsp;Di Chen ,&nbsp;Jinhang Fan ,&nbsp;Yiqun Xiao ,&nbsp;Huayi Yin ,&nbsp;Dihua Wang","doi":"10.1016/j.corsci.2025.113580","DOIUrl":"10.1016/j.corsci.2025.113580","url":null,"abstract":"<div><div>The halide impurities are unavoidable in the industrial scenarios of molten salt CO₂ capture and electro-transformation technology (MSCC-ET), but their effects on anode corrosion are insufficiently studied. Herein, the corrosion behavior of Pt/Ti anodes in molten carbonate containing various concentration of Cl^-/F^- was investigated. The corresponding corrosion mechanisms are analyzed and compared. The Cl^--induced platinum coating dissolution accelerated the titanium substrate passivation, thus causing more extensive performance degradation and reducing service life of Pt/Ti anodes. However, F^- affects the stability of Pt/Ti anodes in a quite different way, penetrating into the platinum coating and attacking the titanium oxide interlayer. Once above the critical F^- concentration, devastating fluorination reactions take place, followed by severe coating bulging and spallation. This work provides crucial insights into the protection and optimization of Pt/Ti anodes for further development in practical implementation.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113580"},"PeriodicalIF":7.4,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880014","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}

{"title":"Effect of zinc injection on the oxide film structure and corrosion release behavior of Alloy 690TT in high temperature pressurized water","authors":"Bin Wu ,&nbsp;Xiaotian Wei ,&nbsp;Hongliang Ming ,&nbsp;Yichen Bao ,&nbsp;Fanjiang Meng ,&nbsp;Peifeng Han ,&nbsp;Jianqiu Wang ,&nbsp;En-Hou Han","doi":"10.1016/j.corsci.2025.113577","DOIUrl":"10.1016/j.corsci.2025.113577","url":null,"abstract":"<div><div>To elucidate the inhibition mechanism of zinc water chemistry on the corrosion product release from key materials in pressurized water reactor (PWR), this study systematically investigates the evolution of oxide films and the release kinetics of elements (Ni, Cr, Fe) from Alloy 690TT under both basic (Zn-free) and zinc-injected (50 ppb) conditions in simulated primary water at 325 °C for up to 3336 h. Oxide film analysis reveals that zinc injection promotes the transformation of the outer oxide layer from a porous, needle-like NiCr₂O₄ spinel to a dense, granular (Zn,Cr,Fe)₃O₄ composite spinel, while the inner compact Cr₂O₃ layer remains stable. Analysis of the release kinetics shows that zinc injection significantly reduces the corrosion release rates of the main metallic elements. Nickel is the primary released element, and its initial release rate is reduced by approximately 71 % with zinc injection. Furthermore, based on the corrosion release rate data from various time points, a quantitative predictive model describing the evolution of the average release rates of Ni, Cr, and Fe over time has been established.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113577"},"PeriodicalIF":7.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880018","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}

{"title":"The effects of dislocation density and configuration, and grain boundary properties on hydrogen induced stress cracking of conventionally processed and additively manufactured Inconel 625","authors":"Alex Kovacs ,&nbsp;Mobin Salasi ,&nbsp;Zakaria Quadir ,&nbsp;Christopher Hutchinson ,&nbsp;Thaneshan Sapanathan","doi":"10.1016/j.corsci.2025.113552","DOIUrl":"10.1016/j.corsci.2025.113552","url":null,"abstract":"<div><div>This study examined the hydrogen embrittlement properties of both conventional and additively manufactured (AM) Nickel Alloy 625. The conventional Nickel Alloy 625 samples were prepared to contain altered grain boundary properties and dislocation densities and were evaluated in relation to AM 625 specimens which displayed distinct dislocation configurations and columnar grain structures. Step loading and slow strain-rate tensile tests with hydrogen charging, fractography, crack analysis and hydrogen desorption tests were performed to determine the hydrogen effects in the wrought material in “as received”, “annealed” and “annealed &amp; pre-strained” conditions and AM 625. The hydrogen embrittlement resistance of as-received wrought 625 (W625) and annealed (ANN) wrought 625 (ANN W625) showed no comparative difference between their hydrogen charged condition and their baseline uncharged Fast Fracture Strength (FFS) tests, both failing at 12 incremental steps despite the removal of grain boundary precipitates and the larger grain size in the annealed condition. Annealed &amp; pre-strained wrought (ANN W625_S), with similar flow stress and dislocation density as AM 625, showed an increased HE resistance compared to W625 and ANN W625 which was attributed to a reduction in the mobile hydrogen due to trapping at the random dislocation arrangement. W625, ANN W625, and AM 625 showed higher mobile hydrogen concentrations through hydrogen desorption tests, however the AM 625 material still maintained a higher threshold stress and higher ductility compared to W625 and ANN W625. This work suggests that the dislocation density and arrangement are important contributors to the increase in hydrogen embrittlement resistance of AM 625 compared to W625 and ANN W625, which is supported by the fractography and crack analysis.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113552"},"PeriodicalIF":7.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880012","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}

{"title":"Predicting, interpreting and optimizing water resistance in epoxy/amine coatings via machine learning and NSGA-Ⅱ framework","authors":"Fengda Pan ,&nbsp;Yu Cui ,&nbsp;Fuhui Wang ,&nbsp;Li Liu","doi":"10.1016/j.corsci.2025.113568","DOIUrl":"10.1016/j.corsci.2025.113568","url":null,"abstract":"<div><div>Achieving excellent water resistance with low diffusion coefficient (<em>D</em>) and saturated water absorption ratio (<em>W</em>) is crucial and ideal for developing long-lasting organic anti-corrosion coatings, especially in ocean applications. However, the traditional ways to develop organic anti-corrosion coatings mainly rely on repetitive experiments. Here, this study proposes a hybrid approach combining machine learning (ML) techniques with prior knowledge on coatings to rapidly design and accurately predict the water resistance of different coatings’ formula. <em>D</em> and <em>W</em> data of epoxy/amine coatings are collected, and then two feature construction strategies (Ⅰ and Ⅱ) are proposed. The strategy Ⅱ incorporating the physicochemical features of the coatings demonstrates high prediction accuracy, with the <em>R²</em> values of the <em>D</em> and <em>W</em> datasets increasing by 31 % and 24 %, respectively. Integrating Shapley Additive Explanations analysis (SHAP) into machine learning models determine each feature’s contribution to water resistance performance, offering a systematic understanding of the composition-processing-performance relationship. The non-dominated sorting genetic algorithm (NSGA-II) generated a Pareto optimal solution set for <em>D</em> and <em>W</em>, guiding the optimization of coatings with water resistance properties. The coatings’ formula with the water resistance from the optimal set using the entropy weight method are selected for experimental preparation, with average errors of 14.22 % (<em>D</em>) and 12.02 % (<em>W</em>), respectively. This established ML strategy with prior expert knowledge on coating failure has excellent reliability in the prediction of water resistance of coating, and provides a versatile framework for designing highly corrosion-resistant and durable organic anti-corrosion coatings.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113568"},"PeriodicalIF":7.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836890","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}

{"title":"Experimental and multi-scale simulation evaluation of nanoclay/nanosilica epoxy coatings for enhanced corrosion protection of structural steel","authors":"Zahoor Hussain ,&nbsp;Xingyu Wang ,&nbsp;Iram Riaz ,&nbsp;Zhibin Lin ,&nbsp;Wenjian Nie ,&nbsp;Yizhou Lin ,&nbsp;Chengcheng Tao ,&nbsp;Ying Huang","doi":"10.1016/j.corsci.2025.113574","DOIUrl":"10.1016/j.corsci.2025.113574","url":null,"abstract":"<div><div>This work investigates the corrosion protection mechanisms of epoxy coatings reinforced with two types of nanoparticles: nanoclay (layered platelets) and nanosilica (spherical particles). Coatings with varying nanofiller concentrations were evaluated by electrochemical impedance spectroscopy (EIS) and salt spray testing, supported by microstructural and mechanical characterization. The incorporation of 1.5 %-2 % nanoclay/nanosilica yielded the highest impedance response (2.28 × 10⁶ Ω·cm²), while coatings containing 2 % nanofillers exhibited minimal chloride and iron penetration after salt spray exposure, as confirmed by SEM-EDS. Nanoparticle addition also refined the coating microstructure by reducing pore size (0.034 mm) and porosity (0.03 %), thereby enhancing barrier performance. Abrasion resistance improved substantially, with nanofiller-modified coatings showing up to 68 % lower mass loss than pure epoxy after 1000 cycles. Complementary molecular dynamics simulations revealed that nanoparticle incorporation restricted polymer chain mobility and enhanced matrix stiffness, whereas finite element modeling demonstrated improved damage tolerance under abrasion. Notably, nanosilica provided a broader interaction range (95–105 Å) compared to nanoclay (25–35 Å), contributing to the long-term stability of the passive barrier. These findings establish a multi-scale understanding of how hybrid nanofillers improve epoxy coating corrosion resistance and durability, offering design guidelines for advanced protective systems in structural and industrial applications.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113574"},"PeriodicalIF":7.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837404","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}

{"title":"ZnO/CdS photocathodic protection for steel in marine environments: Impact of heterojunction on photoelectrochemical efficiency","authors":"Ting Chen ,&nbsp;Jia-Chu Yang ,&nbsp;Xu Wang ,&nbsp;Xiao-Ze Ma ,&nbsp;Le Shi ,&nbsp;Xin-Xin Zhang ,&nbsp;Wen-Tie Yang ,&nbsp;Ze-Hua Dong","doi":"10.1016/j.corsci.2025.113576","DOIUrl":"10.1016/j.corsci.2025.113576","url":null,"abstract":"<div><div>Photocathodic protection (PCP) has attracted significant attention in the field of metal corrosion and protection due to its environmentally friendly and sustainable qualities. In this study, a ZnO/CdS heterojunction composite photoanode was successfully fabricated by depositing CdS nanoparticles onto ZnO nanorods using a spin-coating-assisted modified Successive Ionic Layer Adsorption and Reaction (SILAR) technique. Thanks to the SILAR technique, CdS was uniformly distributed across the ZnO surface, thereby extending the composite's light absorption edge to 554 nm. The photoanode exhibited promising, durable PCP performance on stainless steel and carbon steel in seawater. When paired with SUS304 stainless steel, it achieved a photocurrent density of 762.3 μA/cm² (29 times higher than pristine ZnO) and shifted the potential of SUS304 to −1.20 V <em>vs.</em> Ag/AgCl. Furthermore, it successfully polarized carbon steel to below −1.10 V, sufficient for effective cathodic protection. Density functional theory (DFT) calculations imply that the Z-scheme heterojunction efficiently promotes the separation of photogenerated electron-hole pairs, contributing to the excellent photoelectrochemical performance of ZnO/CdS and offering a promising outlook for marine environments structure protection.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113576"},"PeriodicalIF":7.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836891","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}

{"title":"Investigation of kinetics of ECM dendrite growth during corrosion in electronics","authors":"Jyothsna Murli Rao,&nbsp;Anish Rao Lakkaraju,&nbsp;Feng Li,&nbsp;Kapil Kumar Gupta,&nbsp;Rajan Ambat","doi":"10.1016/j.corsci.2025.113575","DOIUrl":"10.1016/j.corsci.2025.113575","url":null,"abstract":"<div><div>Corrosion-related failures are critical for electronics reliability in various technological sectors, with a wide range of systems shifting towards the use of high voltage and power. Miniaturization and high voltage between closely spaced connectors induce a higher risk of dendrite formation due to electrochemical migration (ECM) when connected by a condensed water film. Shorting caused by ECM dendrites is a prominent failure mechanism in electronics, which at higher voltage could even lead to incidents of fire. Dendrite growth occurs by metal dissolution and electric field assisted deposition, while dendrite composition and shorting characteristics are determined by the kinetics of growth, controlled by the current. To study the kinetic factors related to dendrite growth, a galvanostatic approach with applied current in the range of 0.5 µA to 5 mA was employed on a simple test PCB consisting of two copper pads. Electrochemical testing was supplemented by chemical analysis of dissolved species in a micro-volume of solution using ICP-OES, while characteristics of dendrite as a function of current levels were analyzed using XPS, SEM-EDS and TEM. Dendrite growth and pH gradient increased with current levels. Dendrite composition varied depending on the current levels, while it was suggested that hydrolysis reactions rate determined local pH and dendrite morphology rather than the level of copper dissolution (Total charge Q_T/Charge consumed by Cu dissolution Q_Cu&gt;1 for low and high current levels with shorting). A complementary potentiostatic test verified this understanding of charge consumed (Q_T/ Q_Cu&gt;1 at 2 V and 48 V applied voltage, without dendritic shorting).</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113575"},"PeriodicalIF":7.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837401","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}

{"title":"Grain boundary–controlled dissolution of Cr coatings on Zr alloy cladding in oxygenated high-temperature water","authors":"Yahuan Zhao ,&nbsp;Zhao Shen ,&nbsp;Ziye Dong ,&nbsp;Kun Zhang ,&nbsp;Jiaqi Li ,&nbsp;Jie Yang ,&nbsp;Yifei Shen ,&nbsp;Yangxin Li ,&nbsp;Kai Chen ,&nbsp;Shixin Gao ,&nbsp;Kun Zhang ,&nbsp;Xiaoqin Zeng","doi":"10.1016/j.corsci.2025.113571","DOIUrl":"10.1016/j.corsci.2025.113571","url":null,"abstract":"<div><div>Two Cr coatings with distinct grain morphologies were deposited on Zr alloy claddings by physical vapor deposition to investigate their corrosion behavior in oxygenated water. Long-term autoclave tests at 360 °C and 20 MPa up to 6000 h showed that the columnar-grained coating degraded much faster than the coarse near-elliptical one. Dense grain boundaries in the columnar structure accelerated diffusion of Cr and oxygen, forming porous and unstable Cr₂O₃ and enabling continuous dissolution. In contrast, the coarse-grained coating exhibited slower degradation due to its lower grain boundary density. These results reveal that hydrothermal corrosion of Cr coatings is governed by grain boundary–controlled mass transport and Cr₂O₃ instability, emphasizing the importance of grain morphology optimization for durable accident tolerant fuel claddings.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113571"},"PeriodicalIF":7.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837407","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}

{"title":"Density functional theory, molecular dynamics and thermodynamics analyses of silane-modified waterborne Epoxy/Q235 steel interfaces: Adhesion and anti-corrosion","authors":"Guangguang Xiang ,&nbsp;Jinghong Ma ,&nbsp;Dezhi Zeng ,&nbsp;Yanli Zhou ,&nbsp;Hongpeng Zheng","doi":"10.1016/j.corsci.2025.113572","DOIUrl":"10.1016/j.corsci.2025.113572","url":null,"abstract":"<div><div>Adhesion mechanisms at the coating/metal interface play a critical role in the durability of coated systems. Current study introduces a novel strategy utilizing a “wetting-adsorption” thermodynamic contour diagram to probe interfacial interactions in silane-modified waterborne epoxy coatings on metals. Predictive assessments of interfacial interactions, adhesion strength, and corrosion resistance were conducted using the contour diagram, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations, with experimental validation via adhesion, hydrophobicity, electrochemical impedance spectroscopy (EIS), and salt spray tests. Results demonstrate that the contour diagram reliably forecasts long-term coating durability (adhesion retention and corrosion resistance) after immersion, aligning with measured adhesion loss and corrosion resistance. In contrast, DFT calculations and MD simulations accurately predict initial bonding strength, correlating with pre-immersion adhesion tests. A key divergence emerges for KH560-EP and KH570-EP coatings: although DFT calculations and MD simulations initially rank KH570-EP higher, long-term durability consistently favors the contour diagram’s prediction that KH560-EP performed better. Therefore, addressing conflicting predictions requires an integrated strategy that prioritizes the contour diagram for long-term durability assessment and leverages DFT calculations and MD simulations for initial bonding analysis, thereby achieving an optimized coating design through their synergistic integration.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"260 ","pages":"Article 113572"},"PeriodicalIF":7.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837410","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}