Corrosion SciencePub Date : 2025-09-18DOI: 10.1016/j.corsci.2025.113329
Liujie Yang , Xingyu Feng , Pengshuai Liu , En-Hou Han , Wenjun Kuang
{"title":"Mechanism of corrosion-creep crack initiation of nickel-base alloy in 650°C/20 MPa supercritical CO2","authors":"Liujie Yang , Xingyu Feng , Pengshuai Liu , En-Hou Han , Wenjun Kuang","doi":"10.1016/j.corsci.2025.113329","DOIUrl":"10.1016/j.corsci.2025.113329","url":null,"abstract":"<div><div>The mechanism of corrosion-creep crack initiation of nickel-base alloy was investigated in 650 °C/20 MPa S-CO<sub>2</sub> environment. The entire corrosion-creep crack initiation process is successfully captured on a tapered tensile sample. At the initial stage, grain boundary supports fast Cr diffusion that helps to form the passive oxide scale and cause the accumulation of vacancy. During creep, the oxidation-induced vacancy accelerates the formation of intergranular pore beneath the passive oxide scale. The strain gradually concentrates on grain boundary at 650 °C and eventually ruptures the surface passive oxide film, leading to intergranular oxidation. Meanwhile, pore continues to form beyond the oxidation tip due to the rapid accumulation of vacancies. The mutual promotion between pore formation and intergranular oxidation accelerates the growth of intergranular oxide and finally results in crack initiation.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113329"},"PeriodicalIF":7.4,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099697","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 : 2025-09-18DOI: 10.1016/j.corsci.2025.113326
Xin Guo , Lingwei Ma , Xiaoqi Wang , Bingxiao Shi , Zhongheng Fu , Di Liu , Jiuzhou Zhao , Lin Lu , Dawei Zhang
{"title":"Revealing the atomic-scale mechanism of organic corrosion inhibitors in suppressing anodic dissolution of metals via ab initio molecular dynamics and metadynamics simulations: A case study of sorbitol on aluminum","authors":"Xin Guo , Lingwei Ma , Xiaoqi Wang , Bingxiao Shi , Zhongheng Fu , Di Liu , Jiuzhou Zhao , Lin Lu , Dawei Zhang","doi":"10.1016/j.corsci.2025.113326","DOIUrl":"10.1016/j.corsci.2025.113326","url":null,"abstract":"<div><div>Computational simulation methods have become a popular approach to study the adsorption behavior of corrosion inhibitor molecules on metal surfaces. In this work, using sorbitol as a model corrosion inhibitor, we investigate the differences in anodic dissolution kinetics of aluminum before and after the adsorption of organic corrosion inhibitor molecules combining <em>ab initio</em> molecular dynamics with metadynamics. The results indicate that the adsorption of inhibitor molecules restricts the migration of Al ions during the initial dissolution process, hindering their hydration and consequently slowing down the initial dissolution kinetics. Our work provides a new perspective for the computational study of corrosion inhibition mechanisms.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113326"},"PeriodicalIF":7.4,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099608","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 : 2025-09-17DOI: 10.1016/j.corsci.2025.113327
Haiyan Gong , Lingwei Ma , Diandian Liu , Dawei Zhang
{"title":"AI-driven discovery of high-performance corrosion inhibitors using a BERT-GPT framework for molecular generation","authors":"Haiyan Gong , Lingwei Ma , Diandian Liu , Dawei Zhang","doi":"10.1016/j.corsci.2025.113327","DOIUrl":"10.1016/j.corsci.2025.113327","url":null,"abstract":"<div><div>The discovery of high-efficiency corrosion inhibitors is constrained by the structural diversity of existing molecular entities. This study introduces a framework that integrates BERT and GPT models to predict, screen, and generate molecules with potential corrosion inhibiting properties. Predictive models for inhibition efficiency (IE) and toxicity on carbon steel surfaces in 1 M HCl environments were built by utilizing chemical language embeddings and molecular descriptors. The screening of the PubChem library identified 1,336,971 candidate molecules with a predicted IE greater than 90 % at a 1 mM concentration and a predicted LD50 (lethal dose for 50 % of test animals) exceeding 2000 mg/kg (indicating low acute toxicity). Scaffold analysis highlighted an enrichment of critical scaffold, particularly 6 imidazole scaffolds in conjunction with property constraints (IE = 90 %, LD50 = 1000 mg/kg), informed the conditional generation of molecules using MolGPT. A total of 310,962 valid molecules were generated, with 25.17 % (78,258 molecules) satisfying all specified conditions, which is much higher than the hit ratio (4.08 %) of screening from PubChem database. This study demonstrates an AI-driven molecular generation for corrosion inhibitor discovery.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113327"},"PeriodicalIF":7.4,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145108987","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 : 2025-09-17DOI: 10.1016/j.corsci.2025.113324
Shen Tao , Hui Peng , Hongbo Guo
{"title":"Corrosion degradation and interface behaviour of magnetron sputtered NiAl coatings doped with Zr, Hf, and Cr","authors":"Shen Tao , Hui Peng , Hongbo Guo","doi":"10.1016/j.corsci.2025.113324","DOIUrl":"10.1016/j.corsci.2025.113324","url":null,"abstract":"<div><div>In this work, NiAl-based coatings doped with optimised Zr, Hf, and Cr content are deposited via magnetron sputtering and evaluated for hot corrosion performance. Systematic high-temperature corrosion tests and microstructural analyses reveals that the corrosion resistance and oxide scale adherence of the coatings are strongly dependent on the dopant type and content. Among the single-element doped coatings, NiAlZr exhibits the highest corrosion resistance but suffers from poor scale adhesion, whereas NiAlCr shows the lowest corrosion resistance yet excellent adhesion due to the formation of porous internal and external oxide layers. NiAlHf coating demonstrates intermediate performance. Mechanistically, Zr/ZrO<sub>2</sub> particles effectively suppress the β→γ/γ′ phase transformation and stabilise the grain structure, while HfO<sub>2</sub> promotes interfacial transitions that improves scale anchoring. The presence of Cr will reduce the lattice mismatch but potentially disrupted γ′ ordering. Furthermore, surface wettability and roughness are observed to govern salt mist deposition behaviour, with smoother, more hydrophobic coatings (NiAlZr and NiAlHf) resisting salt accumulation. Notably, a significant synergistic effect between Zr and Hf identified in co-doped NiAlZrHf coating, which outperforms the single-doped counterparts. These findings offer insights into compositional tailoring strategies for enhancing hot corrosion resistance in advanced aluminide coatings.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113324"},"PeriodicalIF":7.4,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099696","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 : 2025-09-17DOI: 10.1016/j.corsci.2025.113325
Jaewoo Park, Jinsuo Zhang
{"title":"Impact of salt purification and flow conditions on SS316H corrosion in molten NaF–KF–UF4","authors":"Jaewoo Park, Jinsuo Zhang","doi":"10.1016/j.corsci.2025.113325","DOIUrl":"10.1016/j.corsci.2025.113325","url":null,"abstract":"<div><div>Flow-accelerated corrosion of stainless steel 316H (SS316H) in NaF–KF–UF<sub>4</sub> salt (FUNaK) was investigated using a rotating cylinder system. Corrosion tests were conducted with FUNaK synthesized to contain varying levels of impurities and UF<sub>3</sub> concentrations to evaluate their influence on the corrosion behavior of SS316H. Different salt flow conditions were simulated by adjusting the rotational speed of the SS316H specimens to assess the influence of the flow condition on SS316H corrosion. Corrosion of SS316H in FUNaK with high oxygen concentrations led to the depletion of alloy constituents and salt penetration along grain boundaries, resulting in significant selective dissolution of the constituents into salt. Additionally, corrosion of SS316H was more severe under turbulent flow conditions compared to laminar flow. Within the turbulent flow regime, however, variations in flow condition of salt with high oxygen content showed limited impact on SS316H corrosion, likely due to the dominant influence of oxygen on corrosion and/or the formation of an iron-enriched surface layer.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113325"},"PeriodicalIF":7.4,"publicationDate":"2025-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154247","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 : 2025-09-15DOI: 10.1016/j.corsci.2025.113320
Hyun Jeong , Ji Yoon Jeong , Soo Yeol Lee , KenHee Ryou , Pyuck-Pa Choi , Yakai Zhao , Siyuan Wei , Pei Wang , Dong-Hyun Lee
{"title":"Effect of boron segregation on hydrogen-induced grain boundary embrittlement in CoCrFeNi medium-entropy alloys","authors":"Hyun Jeong , Ji Yoon Jeong , Soo Yeol Lee , KenHee Ryou , Pyuck-Pa Choi , Yakai Zhao , Siyuan Wei , Pei Wang , Dong-Hyun Lee","doi":"10.1016/j.corsci.2025.113320","DOIUrl":"10.1016/j.corsci.2025.113320","url":null,"abstract":"<div><div>Hydrogen embrittlement (HE) degrades the mechanical performance of metals in hydrogen environments, posing challenges to the safety and reliability of hydrogen energy systems. Although face-centered cubic (FCC) high-/medium-entropy alloys (H/MEAs) show promise due to their intrinsic HE resistance, intergranular failure still occurs under extreme conditions. This study investigated the effect of boron doping on hydrogen-induced grain boundary (GB) embrittlement in CoCrFeNi MEAs under as-cast conditions. Approximately 80 wt. ppm boron was added without altering the microstructure of the alloy. <em>In</em>-<em>situ</em> hydrogen charging tensile tests revealed that boron doping significantly reduced ductility loss, with the HE index decreasing from ∼82 % to ∼32 %, and shifted the fracture mode from intergranular to transgranular. Atom probe tomography confirmed selective boron segregation at the GBs. Thermal desorption spectroscopy and Ag decoration experiments demonstrated that boron suppressed hydrogen trapping at GBs by occupying interstitial sites. Spherical nanoindentation showed decreased critical shear stress for GB slip transmission in the boron-doped alloy, suggesting enhanced GB plasticity. These combined effects of strengthened GB cohesion, reduced hydrogen accumulation, and improved slip transmission synergistically contributed to the enhanced HE resistance of the boron-doped CoCrFeNi MEA.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113320"},"PeriodicalIF":7.4,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099692","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 : 2025-09-15DOI: 10.1016/j.corsci.2025.113319
Joseph Thevakumar , Joshua Owen , Kathleen Purnell , Evgeny Barmatov , Richard Barker
{"title":"Assessment of carbon steel and corrosion resistant alloy corrosion in geothermal environments containing sulphuric acid","authors":"Joseph Thevakumar , Joshua Owen , Kathleen Purnell , Evgeny Barmatov , Richard Barker","doi":"10.1016/j.corsci.2025.113319","DOIUrl":"10.1016/j.corsci.2025.113319","url":null,"abstract":"<div><div>This work focusses on understanding corrosion severity and pipeline material performance within model geothermal sulphuric acid (H<sub>2</sub>SO<sub>4</sub>)-containing environments. A tantalum-lined high pressure/high temperature autoclave is used to assess the corrosion behaviour of N80 carbon steel compared to 13 Cr and 22 Cr duplex stainless steel when exposed to H<sub>2</sub>SO<sub>4</sub> solutions between a pH of 2–4, and at a temperature of 150 °C. Significant increases in solution pH were observed during 20-hour exposure experiments, resulting from acid consumption due to ongoing corrosion reactions. The resulting pH shift led to a notable reduction in corrosion rates over time, creating uncertainty when assessing long-term material degradation under variable environmental conditions. To address this uncertainty, corrosion rates were analysed in the early stages of exposures, enabling a reliable correlation between temperature, pH and metal composition. Linear polarisation resistance (LPR) measurements revealed that corrosion of carbon steel was primarily influenced by solution acidity, with temperature playing a secondary role. A comparative analysis of corrosion performance revealed that uniform and pitting corrosion rates decreased in the following order: carbon steel > 13 Cr stainless steel > 22 Cr duplex stainless steel. These results offer valuable insights into material selection and corrosion mechanisms relevant to geothermal energy applications.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113319"},"PeriodicalIF":7.4,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099693","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 : 2025-09-15DOI: 10.1016/j.corsci.2025.113318
Xiaoyang Zhang , Jinchen Yang , Pengya Lei , Ruifeng Dong , Hua Hou , Yuhong Zhao
{"title":"Corrosion behaviors of Fe50Mn30Co10Cr10 high-entropy alloy wires with different processing states in various aqueous environments","authors":"Xiaoyang Zhang , Jinchen Yang , Pengya Lei , Ruifeng Dong , Hua Hou , Yuhong Zhao","doi":"10.1016/j.corsci.2025.113318","DOIUrl":"10.1016/j.corsci.2025.113318","url":null,"abstract":"<div><div>The electrochemical corrosion behavior and passive film characteristics of a low-stacking-fault-energy high-entropy alloy (HEA) cold-drawn wire with the composition of Fe<sub>50</sub>Mn<sub>30</sub>Co<sub>10</sub>Cr<sub>10</sub> were studied in acidic, alkaline, and saline solutions with three different processing states: deformation, recovery, and recrystallization. In NaCl solutions, the cold-drawn sample exhibits the best corrosion resistance, attributed to its high dislocation density and the formation of stable Mn-rich passive films. In contrast, the recrystallized sample shows the highest corrosion susceptibility. In low concentration H<sub>2</sub>SO<sub>4</sub> solution, the cold-drawn sample demonstrates the best corrosion resistance, with high dislocation density enhancing passive film stability. However, as the H<sub>2</sub>SO<sub>4</sub> concentration increases to 1 M, corrosion resistance deteriorates, with the recrystallized sample showing the best performance. At 2 M H<sub>2</sub>SO<sub>4</sub>, the recovered sample performs relatively better. X-ray photoelectron spectroscopy (XPS) analysis reveals that the Cr<sub>2</sub>O<sub>3</sub> content on the alloy surface is influenced by both the microstructure and acid concentration, which together regulate the competition between oxidation and dissolution kinetics. In alkaline solutions, corrosion resistance improves with increasing NaOH concentration, with the cold-drawn sample exhibiting the best performance due to enhanced passivation stability. This study establishes a framework for tailoring HEA wire processing strategies to achieve enhanced durability in diverse corrosive environments by elucidating the critical relationships between microstructure, processing history, and corrosion resistance.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113318"},"PeriodicalIF":7.4,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099694","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 : 2025-09-13DOI: 10.1016/j.corsci.2025.113317
Ting Xu, Min Du, Gengxin Li
{"title":"The performance and mechanisms of imidazoline phosphonate inhibitors in mitigating sulfate-reducing bacteria-induced under deposit corrosion","authors":"Ting Xu, Min Du, Gengxin Li","doi":"10.1016/j.corsci.2025.113317","DOIUrl":"10.1016/j.corsci.2025.113317","url":null,"abstract":"<div><div>The inhibition performance of an imidazoline phosphonate corrosion inhibitor (IPI) on X65 steel beneath corrosion products film formed by sulfate-reducing bacteria (SRB) at different growth stages in simulated CO₂-saturated oilfield produced water was investigated. 300 mg/L IPI effectively mitigated corrosion under varying conditions of the corrosion products film. IPI demonstrated over 80 % inhibition efficiency against SRB-induced corrosion and significantly reduces pitting corrosion. IPI can adsorb onto X65 steel and reorganize the initially disordered and detached corrosion products film. Molecular dynamics (MD) simulations elucidated IPI's inhibition mechanism, revealing its preferential adsorption on the Fe (1 1 0) compared to the FeS (0 0 1).</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113317"},"PeriodicalIF":7.4,"publicationDate":"2025-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099695","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 : 2025-09-12DOI: 10.1016/j.corsci.2025.113302
Jinghui Fan , Sifan Tan , Guangyu Zhu , Langfeng Zhu , Wenxing Luo , Jue Wang , Baowen Fu , Chao Qiang , Wenjing Chen , Xiaowu Hu , Tao Xu , Xiongxin Jiang
{"title":"Corrigendum to “Effects of Cu@Sn@Ag core-shell particles on microstructure, corrosion and mechanical properties of SAC305 solder joint” [Corros. Sci. 257 (2025) 113270]","authors":"Jinghui Fan , Sifan Tan , Guangyu Zhu , Langfeng Zhu , Wenxing Luo , Jue Wang , Baowen Fu , Chao Qiang , Wenjing Chen , Xiaowu Hu , Tao Xu , Xiongxin Jiang","doi":"10.1016/j.corsci.2025.113302","DOIUrl":"10.1016/j.corsci.2025.113302","url":null,"abstract":"","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113302"},"PeriodicalIF":7.4,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262568","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}