Corrosion Science最新文献_第4页

Theoretical passivation limits of binary aluminum-lithium alloys in oxygen and fluorine environments 二元铝锂合金在氧和氟环境中的理论钝化极限

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-18 DOI: 10.1016/j.corsci.2025.113328

Caleb N. Harper , Steven F. Son

{"title":"Theoretical passivation limits of binary aluminum-lithium alloys in oxygen and fluorine environments","authors":"Caleb N. Harper , Steven F. Son","doi":"10.1016/j.corsci.2025.113328","DOIUrl":"10.1016/j.corsci.2025.113328","url":null,"abstract":"<div><div>The theoretical passivation of binary aluminum-lithium alloys (0–100 wt% Li) was evaluated using a Pilling-Bedworth ratio analysis with a lithium diffusion model under various oxygen and fluorine environments near room temperature. Passivation was found to be dynamic, governed by atmospheric composition, surface reaction kinetics, alloy microstructure, and internal lithium diffusion. Water vapor reactions forming hydrates are particularly detrimental to passivation in both oxygen and fluorine environments. These theoretical calculations suggest that alloys with low lithium content (< 5 wt%) may remain passivated in oxygen-containing atmospheres for extended periods near room temperature. Experimental validation of these passivation models was conducted by reacting both passivated and un-passivated Al-Li alloy powders with water to measure hydrogen gas evolution. Results revealed a sharp increase in reactivity near 5 wt% Li, consistent with a percolation threshold of increased δ’- and δ-phase grain connectivity. Below this threshold, passivated alloys consumed < 10 % of their active metal content. Above it, passivation was largely ineffective, and nearly all the active metal content was consumed. These findings confirm that passivation strategies using ambient air are only effective below a critical lithium concentration and suggest fluorine-based or similar treatments may be required to protect high-Li-content alloys.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113328"},"PeriodicalIF":7.4,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109632","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}

引用次数: 0

Chromium segregation-induced oxide evolution in Ni-10Cr alloys during high-temperature oxidation Ni-10Cr合金高温氧化过程中铬偏析诱导的氧化物演化

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-18 DOI: 10.1016/j.corsci.2025.113332

Shuai Xiao , Ya Cai , Xiao Peng , Jianmin Chen , Yujing Liu , Canying Cai , Xiaochun Liu , Guangwen Zhou

{"title":"Chromium segregation-induced oxide evolution in Ni-10Cr alloys during high-temperature oxidation","authors":"Shuai Xiao , Ya Cai , Xiao Peng , Jianmin Chen , Yujing Liu , Canying Cai , Xiaochun Liu , Guangwen Zhou","doi":"10.1016/j.corsci.2025.113332","DOIUrl":"10.1016/j.corsci.2025.113332","url":null,"abstract":"<div><div>The oxidation behavior of a Ni-10(wt%)Cr alloy under high-temperature O<sub>2</sub> conditions is investigated using transmission electron microscopy and first-principles calculations. Results reveal that chromium segregation plays a central role in driving the evolution of complex oxide phase structures during oxidation. At low Cr concentrations, Cr preferentially segregates to NiO grain boundaries or internal pores, substituting for Ni atoms and forming Ni(Cr)O solid solutions. As Cr content increases, enhanced diffusion promotes Cr penetration into the NiO lattice, leading to the formation of multiphase oxide structures. First-principles modeling corroborates these findings: at low Cr concentrations, Cr atoms favor surface and grain-boundary segregation, while higher concentrations lead to Cr aggregation within the NiO bulk. The integrated experimental-theoretical approach provides atomistic insights into Cr-mediated mass transport mechanisms during alloy oxidation and offers valuable guidance for controlling oxide growth kinetics and phase stability in Ni-Cr alloys, with implications for improving oxidation resistance in high-temperature structural applications.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113332"},"PeriodicalIF":7.4,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145154414","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}

引用次数: 0

Transpassive-repassivation process of Ni-base superalloys: The role of hidden subsurface alloy layer 镍基高温合金的转被动再钝化过程：隐性亚表面合金层的作用

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-18 DOI: 10.1016/j.corsci.2025.113321

Xiaoqi Yue , Alfred Larsson , Dihao Chen , Andrea Grespi , Giuseppe Abbondanza , Ulrich Lienert , Zoltan Hegedüs , Arno Jeromin , Thomas F. Keller , Mattia Scardamaglia , Andrey Shavorskiy , Chaofang Dong , Edvin Lundgren , Jinshan Pan

{"title":"Transpassive-repassivation process of Ni-base superalloys: The role of hidden subsurface alloy layer","authors":"Xiaoqi Yue , Alfred Larsson , Dihao Chen , Andrea Grespi , Giuseppe Abbondanza , Ulrich Lienert , Zoltan Hegedüs , Arno Jeromin , Thomas F. Keller , Mattia Scardamaglia , Andrey Shavorskiy , Chaofang Dong , Edvin Lundgren , Jinshan Pan","doi":"10.1016/j.corsci.2025.113321","DOIUrl":"10.1016/j.corsci.2025.113321","url":null,"abstract":"<div><div>Passivity refers to spontaneous formation of a passive film on the surface of metals. High stability of the passive film on advanced alloys relies on the repassivation ability of the alloys in corrosive environments. Two Ni-base superalloys (Ni-22Cr-9Mo-5Fe-2Nb and Ni-18Cr-3Mo-20Fe-5Nb) are studied to elucidate the mechanism of repassivation through a combination of multimodal in-situ synchrotron X-ray measurements, electrochemical measurements, and first principles calculations. The synchrotron X-ray analyses enabled in-situ probing of the passive film and the hidden subsurface alloy layer. The results reveal chemical and structural evolutions of both the passive film and the underlying subsurface alloy layer under transpassive condition. The first principles calculations demonstrate a crucial role of the subsurface alloy layer in the repassivation of the alloys. Upon passivity breakdown at high electrochemical potentials, the passive film rich in Cr oxide becomes highly defective with vacancies, and metal dissolution leads to generation of vacancies (mainly Ni) in the subsurface alloy layer. This promotes repassivation process by enhanced outward Cr diffusion strengthening the metal bond (more Cr-Ni bonds) in the subsurface alloy layer and, together with the enrichment of high valence Mo- and Nb-oxides in the passive film, lead to repassivation when the high potential is removed, which is different from Fe-rich alloys.</div></div>","PeriodicalId":290,"journal":{"name":"Corrosion Science","volume":"257 ","pages":"Article 113321"},"PeriodicalIF":7.4,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099609","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}

引用次数: 0

Mechanism of corrosion-creep crack initiation of nickel-base alloy in 650°C/20 MPa supercritical CO2 650℃/20 MPa超临界CO2中镍基合金腐蚀蠕变裂纹萌生机理

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-18 DOI: 10.1016/j.corsci.2025.113329

Liujie Yang , Xingyu Feng , Pengshuai Liu , En-Hou Han , Wenjun Kuang

引用次数: 0

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 通过从头算分子动力学和元动力学模拟揭示有机缓蚀剂抑制金属阳极溶解的原子尺度机理：以山梨醇对铝的吸附为例

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-18 DOI: 10.1016/j.corsci.2025.113326

Xin Guo , Lingwei Ma , Xiaoqi Wang , Bingxiao Shi , Zhongheng Fu , Di Liu , Jiuzhou Zhao , Lin Lu , Dawei Zhang

引用次数: 0

AI-driven discovery of high-performance corrosion inhibitors using a BERT-GPT framework for molecular generation 使用BERT-GPT框架进行分子生成的高性能缓蚀剂的ai驱动发现

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-17 DOI: 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}

引用次数: 0

Corrosion degradation and interface behaviour of magnetron sputtered NiAl coatings doped with Zr, Hf, and Cr 掺杂Zr、Hf和Cr的磁控溅射NiAl涂层的腐蚀降解和界面行为

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-17 DOI: 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}

引用次数: 0

Impact of salt purification and flow conditions on SS316H corrosion in molten NaF–KF–UF4 盐净化和流动条件对熔液中SS316H腐蚀的影响

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-17 DOI: 10.1016/j.corsci.2025.113325

Jaewoo Park, Jinsuo Zhang

引用次数: 0

Effect of boron segregation on hydrogen-induced grain boundary embrittlement in CoCrFeNi medium-entropy alloys 硼偏析对CoCrFeNi中熵合金氢致晶界脆化的影响

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-15 DOI: 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}

引用次数: 0

Assessment of carbon steel and corrosion resistant alloy corrosion in geothermal environments containing sulphuric acid 碳钢和耐腐蚀合金在含硫酸地热环境中的腐蚀评价

IF 7.4 1区材料科学

Corrosion Science Pub Date : 2025-09-15 DOI: 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}

引用次数: 0