{"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}
引用次数: 0
Abstract
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.