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	Effect of strain field on threshold displacement energy of tungsten studied by molecular dynamics simulation
	Wang, Dong1,2; Gao, Ning1; Setyawan, W.3; Kurtz, R. J.3; Wang, Zhi-Guang1; Gao, Xing1; He, Wen-Hao1,2; Pang, Li-Long1
刊名	Chinese physics letters
	2016-09-01
卷号	33期号:7页码:5
ISSN号	0256-307X
DOI	10.1088/0256-307x/33/9/096102
通讯作者	Gao, ning(ning.gao@impcas.ac.cn) ; Wang, zhi-guang(zhgwang@impcas.ac.cn)
英文摘要	The influence of strain field on defect formation energy and threshold displacement energy (e-d) in body-centered cubic tungsten (w) is studied with molecular dynamics simulation. two different w potentials (fikar and juslin) are compared and the results indicate that the connection distance and selected function linking the short-range and long-range portions of the potentials affect the threshold displacement energy and its direction-specific values. the minimum. e-d direction calculated with the fikar potential is. < 100 > and with the juslin potential is < 111 >. nevertheless, the most stable self-interstitial configuration is found to be a < 111 >-crowdion for both the potentials. this stable configuration does not change with the applied strain. varying the strain from compression to tension increases the vacancy formation energy while decreases the self-interstitial formation energy. the formation energy of a self-interstitial changes more significantly than a vacancy such that. e-d decreases with the applied hydrostatic strain from compression to tension.
WOS关键词	RADIATION-DAMAGE ; INTERATOMIC POTENTIALS ; COMPUTER-SIMULATION ; CASCADES ; IRON ; BCC ; IRRADIATION ; GENERATION ; CLUSTERS ; METALS
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000383778000022
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2376017
专题	中国科学院大学
通讯作者	Gao, Ning; Wang, Zhi-Guang
作者单位	1.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Pacific Northwest Natl Lab, Richland, WA 99352 USA
推荐引用方式 GB/T 7714	Wang, Dong,Gao, Ning,Setyawan, W.,et al. Effect of strain field on threshold displacement energy of tungsten studied by molecular dynamics simulation[J]. Chinese physics letters,2016,33(7):5.
APA	Wang, Dong.,Gao, Ning.,Setyawan, W..,Kurtz, R. J..,Wang, Zhi-Guang.,...&Pang, Li-Long.(2016).Effect of strain field on threshold displacement energy of tungsten studied by molecular dynamics simulation.Chinese physics letters,33(7),5.
MLA	Wang, Dong,et al."Effect of strain field on threshold displacement energy of tungsten studied by molecular dynamics simulation".Chinese physics letters 33.7(2016):5.

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