中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Effect of strain field on displacement cascade in tungsten studied by molecular dynamics simulation

文献类型:期刊论文

作者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
出版日期2016-10-01
卷号384页码:68-75
ISSN号0168-583X
关键词Strain field Tungsten Molecular dynamics Displacement cascade
DOI10.1016/j.nimb.2016.08.006
通讯作者Gao, n.(ning.gao@impcas.ac.cn) ; Wang, z. g.(zhgwang@impcas.ac.cn)
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.
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
WOS类目Instruments & Instrumentation ; Nuclear Science & Technology ; Physics, Atomic, Molecular & Chemical ; Physics, Nuclear
语种英语
出版者ELSEVIER SCIENCE BV
WOS记录号WOS:000383941400010
URI标识http://www.irgrid.ac.cn/handle/1471x/2376025
专题中国科学院大学
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.

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来源:中国科学院大学

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