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

doi:10.1016/j.jnucmat.2019.01.031

	Molecular dynamics study on the Burgers vector transition of nanometric dislocation loops induced by cascade in bcc-iron
	Xu, Ben 1; Shu, Guogang 3; Liu, Hailong 1; Wang, Yinan 1; Wang, Xiaoyang 1; Liu, Wei1 ; Li, Chengliang 3; Gao, Ning 2
刊名	JOURNAL OF NUCLEAR MATERIALS
	2019-06-01
卷号	519 页码:322-331
关键词	Dislocation loop Irradiation Cascade overlap Embrittlement
ISSN号	0022-3115
DOI	10.1016/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.
资助项目	National Nature Science Foundation of China[51471092] ; National Nature Science Foundation of China[11405150]
WOS关键词	INTERSTITIAL CLUSTERS ; INTERATOMIC POTENTIALS ; DISPLACEMENT CASCADES ; IRRADIATION DAMAGE ; VACANCY CLUSTERS ; ENERGY ; ATOM
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
内容类型	期刊论文
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.