Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation

doi:10.1016/j.nimb.2016.08.006

	Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation
	Wang, D.1,2 ; Gao, N.1; Wang, Z. G.1; Gao, X.1; He, W. H.1,2; Cui, M. H.1; Pang, L. L.1; Zhu, Y. B.1
刊名	NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
	2016-10-01
卷号	384 页码:68-75
关键词	Strain field Tungsten Molecular dynamics Displacement cascade
ISSN号	0168-583X
DOI	10.1016/j.nimb.2016.08.006
英文摘要	Using atomistic methods, the coupling effect of strain field and displacement cascade in body-centered cubic (BCC) tungsten is directly simulated by molecular dynamics (MD) simulations at different temperatures. The values of the hydrostatic and uniaxial (parallel or perpendicular to primary knock-on atom (PICA) direction) strains are from 2% to 2% and the temperature is from 100 to 1000 K. Because of the annealing effect, the influence of strain on radiation damage at low temperature has been proved to be more significant than that at high temperature. When the cascade proceeds under the hydrostatic strain, the Frenkel Pair (FP) production, the fraction of defect in cluster and the average size of the defect cluster, all increase at tensile state and decrease at compressive state. When the cascade is under uniaxial strain, the effect of strain parallel to PICA direction is less than the effect of hydrostatic strain, while the effect of strain perpendicular to PICA direction can be negligible. Under the uniaxial strain along (1 1 1) direction, the SIA and SIA cluster is observed to orientate along the strain direction at tensile state and the uniaxial compressive strain with direction perpendicular to (1 I 1) has led to the similar preferred nucleation. All these results indicate that under irradiation, the tensile state should be avoided for materials used in nuclear power plants. (C) 2016 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China (NSFC)[11375242] ; National Natural Science Foundation of China (NSFC)[91426301] ; National Natural Science Foundation of China (NSFC)[11405231] ; National Natural Science Foundation of China (NSFC)[11505247] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDA03010301]
WOS关键词	CENTERED-CUBIC IRON ; COMPUTER-SIMULATION ; DEFECT PRODUCTION ; RADIATION-DAMAGE ; MD SIMULATIONS ; METALS ; GENERATION ; POTENTIALS ; EVALUATE
WOS研究方向	Instruments & Instrumentation ; Nuclear Science & Technology ; Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000383941400010
资助机构	National Natural Science Foundation of China (NSFC) ; Strategic Priority Research Program of the Chinese Academy of Sciences
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/43251]
专题	中国科学院近代物理研究所
通讯作者	Gao, N.; Wang, Z. G.
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
推荐引用方式 GB/T 7714	Wang, D.,Gao, N.,Wang, Z. G.,et al. Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2016,384:68-75.
APA	Wang, D..,Gao, N..,Wang, Z. G..,Gao, X..,He, W. H..,...&Zhu, Y. B..(2016).Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,384,68-75.
MLA	Wang, D.,et al."Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 384(2016):68-75.