Mutual reaction between interstitial clusters in bcc Fe

D. Terentyev, L. Malerba
{"title":"Mutual reaction between interstitial clusters in bcc Fe","authors":"D. Terentyev, L. Malerba","doi":"10.1117/12.726716","DOIUrl":null,"url":null,"abstract":"Clusters of self-interstitial atoms (SIAs) are commonly observed in microstructure of irradiated metals. These clusters can be formed directly in high-energy displacement cascades or as a result of interaction between individual SIAs. The majority of these clusters has features of glissile dislocation loops and perform fast thermally-activated one-dimensional glide. In this paper we present results of systematic molecular dynamics study of reactions where glissile clusters are involved. On the example of bcc iron we demonstrate that the reactions can result in a number of specific microstructural objects with different properties which may affect the microstructure evolution of irradiated metals. Particularly the reactions between the most common glissile clusters of (111) crowdions can result in coarsening, formation of immobile complexes and change of the crowdion orientation to (100) -type direction. However, particular mechanism responsible for that was found to be different from the one reported in the similar computer simulation studies. Properties of the products of mutual reactions between clusters are quite different which can influence the total microstructure evolution under irradiation. The results are obtained with the most promising interatomic potential for iron.","PeriodicalId":117315,"journal":{"name":"Nanodesign, Technology, and Computer Simulations","volume":"6597 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2006-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nanodesign, Technology, and Computer Simulations","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1117/12.726716","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

Clusters of self-interstitial atoms (SIAs) are commonly observed in microstructure of irradiated metals. These clusters can be formed directly in high-energy displacement cascades or as a result of interaction between individual SIAs. The majority of these clusters has features of glissile dislocation loops and perform fast thermally-activated one-dimensional glide. In this paper we present results of systematic molecular dynamics study of reactions where glissile clusters are involved. On the example of bcc iron we demonstrate that the reactions can result in a number of specific microstructural objects with different properties which may affect the microstructure evolution of irradiated metals. Particularly the reactions between the most common glissile clusters of (111) crowdions can result in coarsening, formation of immobile complexes and change of the crowdion orientation to (100) -type direction. However, particular mechanism responsible for that was found to be different from the one reported in the similar computer simulation studies. Properties of the products of mutual reactions between clusters are quite different which can influence the total microstructure evolution under irradiation. The results are obtained with the most promising interatomic potential for iron.
bcc Fe间质团簇之间的相互反应
自间隙原子簇(SIAs)在辐照金属的微观结构中很常见。这些团簇可以在高能位移级联中直接形成,也可以作为单个SIAs之间相互作用的结果。这些团簇中的大多数具有滑动位错环的特征,并进行快速的热激活一维滑动。在本文中,我们提出了系统的分子动力学研究的结果,其中滑动团簇涉及的反应。以bcc铁为例,我们证明了这些反应可以产生许多具有不同性质的特定微观结构物体,这些微观结构物体可能影响辐照金属的微观结构演变。特别是最常见的(111)群的滑块团簇之间的反应可以导致粗化,形成不动的配合物和将群的取向改变为(100)型方向。然而,研究人员发现,造成这种情况的特定机制与类似计算机模拟研究中报告的机制不同。簇间相互反应产物的性质差异很大,影响了辐照下的总体微观结构演变。结果得到了最有希望的铁原子间电位。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信