Molecular dynamics simulations of high-energy radiation damage in W and W-Re alloys

doi:10.1016/j.jnucmat.2019.06.027

	Molecular dynamics simulations of high-energy radiation damage in W and W-Re alloys
	Fu, Jun 4; Deng, Huiqiu 4; Hu, Wangyu 4; Jiang, Chao 4; Chen, Yangchun 4; Fang, Jingzhong 4; Gao, Ning 1,5; Zhou, Hong-Bo 3; Lu, Guang-Hong 3; Gao, Fei 2
刊名	JOURNAL OF NUCLEAR MATERIALS
	2019-10-01
卷号	524 页码:9-20
关键词	W-Re alloy Molecular dynamics High-energy collision cascades Defects
ISSN号	0022-3115
DOI	10.1016/j.jnucmat.2019.06.027
通讯作者	Gao, Ning(ning.gao@impcas.ac.cn) ; Deng, Huiqiu(hqdeng@hnu.edu.cn)
英文摘要	High-energy collision cascades with an energy of up to 300 keV for the primary knock-on atom (PIGS) have been initially simulated in W and W-Re alloys containing 5 or 10 at.% Re atoms using the molecular dynamics method with recently fitted W-Re interatomic potentials. The effects of PIGS energy and Re concentration on defect production, defect clustering and states of dislocation loops have been quantitatively analysed. The results show that the presence of Re atoms does not significantly affect either the number of surviving defects or their clustered fractions. In addition, the interstitial dislocation loops are dominated by the 112<111> loops. Mixed interstitial loops with 112<111> and <100> Burgers vectors and interstitial loops that have the same Burgers vectors but are located on different habit planes have also been observed. Further analysis indicates that the pinning effect induced by the Re atom segregation leads to the lower mobility of the interstitial clusters and interstitial 112<111> loops in W-Re alloys than in pure W, which is expected to influence the subsequent evolution of radiation-induced defects in W-Re alloy. (C) 2019 Elsevier B.V. All rights reserved.
资助项目	National MCF Energy R&D Program of China[2018YFE0308100] ; National Natural Science Foundation of China[51771073] ; National Natural Science Foundation of China[11675230] ; National Natural Science Foundation of China[11475232]
WOS关键词	NEUTRON-IRRADIATION ; DISPLACEMENT CASCADES ; INTERATOMIC POTENTIALS ; FE-CR ; MICROSTRUCTURAL DEVELOPMENT ; TRANSMUTATION ELEMENTS ; TUNGSTEN ; RHENIUM ; FRAGMENTATION ; DEFECTS
WOS研究方向	Materials Science ; Nuclear Science & Technology
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000478693700002
资助机构	National MCF Energy R&D Program of China ; National Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/133021]
专题	中国科学院近代物理研究所
通讯作者	Deng, Huiqiu; Gao, Ning
作者单位	1.Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100094, Peoples R China 2.Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA 3.Beihang Univ, Dept Phys, Beijing 100191, Peoples R China 4.Hunan Univ, Coll Mat Sci & Engn, Coll Mech & Vehicle Engn, Sch Phys & Elect, Changsha 410082, Hunan, Peoples R China 5.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China
推荐引用方式 GB/T 7714	Fu, Jun,Deng, Huiqiu,Hu, Wangyu,et al. Molecular dynamics simulations of high-energy radiation damage in W and W-Re alloys[J]. JOURNAL OF NUCLEAR MATERIALS,2019,524:9-20.
APA	Fu, Jun.,Deng, Huiqiu.,Hu, Wangyu.,Jiang, Chao.,Chen, Yangchun.,...&Gao, Fei.(2019).Molecular dynamics simulations of high-energy radiation damage in W and W-Re alloys.JOURNAL OF NUCLEAR MATERIALS,524,9-20.
MLA	Fu, Jun,et al."Molecular dynamics simulations of high-energy radiation damage in W and W-Re alloys".JOURNAL OF NUCLEAR MATERIALS 524(2019):9-20.