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Molecular dynamics study on the Burgers vector transition of nanometric dislocation loops induced by cascade in bcc-iron

文献类型：期刊论文

作者Xu, Ben1; Shu, Guogang3; Liu, Hailong1; Wang, Yinan1; Wang, Xiaoyang1; Liu, Wei1; Li, Chengliang3; Gao, Ning2
刊名JOURNAL OF NUCLEAR MATERIALS
出版日期2019-06-01
卷号519页码:322-331
ISSN号0022-3115
关键词Dislocation loop Irradiation Cascade overlap Embrittlement
DOI10.1016/j.jnucmat.2019.01.031
通讯作者Xu, Ben(xuben@mail.tsinghua.edu.cn) ; Liu, Wei()
英文摘要Dislocation loops are commonly observed defects in bcc-iron based alloys under radioactive environments. They are also major sources of hardening and embrittlement in such materials. In this paper, a comprehensive molecular dynamics (MD) study is conducted concerning the effects of subsequent cascades on previously formed dislocation loops, particularly changes in their Burgers vectors induced by cascades. We reveal the atomistic mechanism behind the Burgers vector transitions and then investigate the effects of temperature, initial cluster type, loop size, and cascade parameters on the transition rate and the effects of different potentials. The competing effects of loop size and cascade energy result in an overall non-monotonic effect on the transition rate to <100> dislocation loops, which is attributed to the density of the dissolved self-interstitial atoms in the loop. We also find temperature dependence of the transition rate of <100> loops with M07 potential function. This study provides essential information regarding the evolution of nanometric dislocation loops under irradiation. (C) 2019 Published by Elsevier B.V.
WOS关键词INTERSTITIAL CLUSTERS ; INTERATOMIC POTENTIALS ; DISPLACEMENT CASCADES ; IRRADIATION DAMAGE ; VACANCY CLUSTERS ; ENERGY ; ATOM
资助项目National Nature Science Foundation of China[51471092] ; National Nature Science Foundation of China[11405150]
WOS研究方向Materials Science ; Nuclear Science & Technology
语种英语
出版者ELSEVIER SCIENCE BV
WOS记录号WOS:000465088900033
资助机构National Nature Science Foundation of China
源URL[http://119.78.100.186/handle/113462/133420]  
专题中国科学院近代物理研究所
通讯作者Xu, Ben; Liu, Wei
作者单位1.Tsinghua Univ, Sch Mat Sci & Engn, Beijing 100084, Peoples R China
2.Inst Modern Phys, Lab Adv Nucl Mat, 509 NanChang Rd, Lanzhou 730000, Gansu, Peoples R China
3.China Nucl Power Engn Co Ltd, State Key Lab Nucl Power Safety Monitoring Techno, Shenzhen 518172, Peoples R China
推荐引用方式
GB/T 7714		 Xu, Ben,Shu, Guogang,Liu, Hailong,et al. Molecular dynamics study on the Burgers vector transition of nanometric dislocation loops induced by cascade in bcc-iron[J]. JOURNAL OF NUCLEAR MATERIALS,2019,519:322-331.
APA Xu, Ben.,Shu, Guogang.,Liu, Hailong.,Wang, Yinan.,Wang, Xiaoyang.,...&Gao, Ning.(2019).Molecular dynamics study on the Burgers vector transition of nanometric dislocation loops induced by cascade in bcc-iron.JOURNAL OF NUCLEAR MATERIALS,519,322-331.
MLA Xu, Ben,et al."Molecular dynamics study on the Burgers vector transition of nanometric dislocation loops induced by cascade in bcc-iron".JOURNAL OF NUCLEAR MATERIALS 519(2019):322-331.

入库方式： OAI收割

来源：近代物理研究所

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