{"title":"对不同应变速率下氢气增强应变诱导的 α - 铁空位的原子论见解","authors":"Lanxi Feng , Wenxuan Tang , Zhuochen Chen , Xiaoqing Zhang , Yong-Wei Zhang , Wanghui Li , Meizhen Xiang , Xiaohu Yao","doi":"10.1016/j.scriptamat.2024.116246","DOIUrl":null,"url":null,"abstract":"<div><p>Dynamic behavior of <em>α</em>-iron in the presence of hydrogen (H) under triaxial tension is investigated by molecular dynamic simulations. The process of hydrogen enhanced strain induced vacancy is directly captured at the atomic scale in a wide range of strain rates. Significant strain rate effects and H concentration dependence are observed in the hydrogen embrittlement of <em>α</em>-iron. When the concentration of H (<span><math><msub><mrow><mi>C</mi></mrow><mrow><mi>H</mi></mrow></msub></math></span>) is substantially high, the maximum tensile stress of iron falls. More local phase transitions are observed at the aggregation sites of H atoms, which plays a crucial role in ensuring that the material does not lose its load bearing capacity immediately after reaching the maximal stress. Our study sheds light on the intricate interplay of H, strain rate, phase transition (PT) in <em>α</em>-iron and provides valuable insights into the complex dynamics of H embrittlement.</p></div>","PeriodicalId":423,"journal":{"name":"Scripta Materialia","volume":null,"pages":null},"PeriodicalIF":5.3000,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Atomistic insights into hydrogen-enhanced strain-induced vacancy in α - iron across varied strain rates\",\"authors\":\"Lanxi Feng , Wenxuan Tang , Zhuochen Chen , Xiaoqing Zhang , Yong-Wei Zhang , Wanghui Li , Meizhen Xiang , Xiaohu Yao\",\"doi\":\"10.1016/j.scriptamat.2024.116246\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Dynamic behavior of <em>α</em>-iron in the presence of hydrogen (H) under triaxial tension is investigated by molecular dynamic simulations. The process of hydrogen enhanced strain induced vacancy is directly captured at the atomic scale in a wide range of strain rates. Significant strain rate effects and H concentration dependence are observed in the hydrogen embrittlement of <em>α</em>-iron. When the concentration of H (<span><math><msub><mrow><mi>C</mi></mrow><mrow><mi>H</mi></mrow></msub></math></span>) is substantially high, the maximum tensile stress of iron falls. More local phase transitions are observed at the aggregation sites of H atoms, which plays a crucial role in ensuring that the material does not lose its load bearing capacity immediately after reaching the maximal stress. Our study sheds light on the intricate interplay of H, strain rate, phase transition (PT) in <em>α</em>-iron and provides valuable insights into the complex dynamics of H embrittlement.</p></div>\",\"PeriodicalId\":423,\"journal\":{\"name\":\"Scripta Materialia\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.3000,\"publicationDate\":\"2024-07-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Scripta Materialia\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1359646224002811\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Scripta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359646224002811","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
通过分子动力学模拟研究了三轴拉伸条件下存在氢(H)的 α-铁的动力学行为。在广泛的应变速率范围内,氢增强应变诱导空位的过程在原子尺度上被直接捕捉到。在 α 铁的氢脆过程中观察到了显著的应变速率效应和氢浓度依赖性。当氢(CH)浓度很高时,铁的最大拉伸应力下降。在 H 原子的聚集点观察到更多的局部相变,这对确保材料在达到最大应力后不会立即失去承载能力起着至关重要的作用。我们的研究揭示了 α-铁中 H、应变率和相变 (PT) 之间错综复杂的相互作用,并为了解 H 脆化的复杂动态提供了宝贵的见解。
Atomistic insights into hydrogen-enhanced strain-induced vacancy in α - iron across varied strain rates
Dynamic behavior of α-iron in the presence of hydrogen (H) under triaxial tension is investigated by molecular dynamic simulations. The process of hydrogen enhanced strain induced vacancy is directly captured at the atomic scale in a wide range of strain rates. Significant strain rate effects and H concentration dependence are observed in the hydrogen embrittlement of α-iron. When the concentration of H () is substantially high, the maximum tensile stress of iron falls. More local phase transitions are observed at the aggregation sites of H atoms, which plays a crucial role in ensuring that the material does not lose its load bearing capacity immediately after reaching the maximal stress. Our study sheds light on the intricate interplay of H, strain rate, phase transition (PT) in α-iron and provides valuable insights into the complex dynamics of H embrittlement.
期刊介绍:
Scripta Materialia is a LETTERS journal of Acta Materialia, providing a forum for the rapid publication of short communications on the relationship between the structure and the properties of inorganic materials. The emphasis is on originality rather than incremental research. Short reports on the development of materials with novel or substantially improved properties are also welcomed. Emphasis is on either the functional or mechanical behavior of metals, ceramics and semiconductors at all length scales.