MD and OKMC simulations of the displacement cascades in nickel
Xiao, WJ; Wu, GY; Li, MH; Deng, HQ; Zhang, W; Huai, P; Hu, WY; Hu, WY (reprint author), Hunan Univ, Dept Appl Phys, Sch Phys & Elect, Changsha 410012, Hunan, Peoples R China.
2016
发表期刊NUCLEAR SCIENCE AND TECHNIQUES
ISSN1001-8042
卷号27期号:3页码:-
文章类型期刊论文
摘要The molecular dynamics (MD) method was used to investigate the displacement cascades with primary knock-on atom (PKA) energies of 2-40 keV at 100 and 600 K. The migration energy of defects and their clusters was calculated by nudged elastic band (NEB) method. Object kinetic Monte Carlo (OKMC) was used to simulate the evolution of defects in Ni under annealing. In each annealing stage, the recombination mechanism was discussed and evolution of the defects under different cascade conditions was compared. It was found that the defects generated in high-temperature cascades are more stable than those in the low-temperature cascades. In addition, almost all the defects are annihilated during annealing process at low PKA energy. At PKA energy of 20-40 keV, however, a large number of defects would remain after annealing.
关键词Displacement Cascades Molecular Dynamics Simulation Object Kinetic Monte Carlo
DOI10.1007/s41365-016-0057-y
收录类别SCI
语种英语
WOS记录号WOS:000380038900008
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/26568
专题中科院上海应用物理研究所2011-2018年
通讯作者Hu, WY (reprint author), Hunan Univ, Dept Appl Phys, Sch Phys & Elect, Changsha 410012, Hunan, Peoples R China.
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Xiao, WJ,Wu, GY,Li, MH,et al. MD and OKMC simulations of the displacement cascades in nickel[J]. NUCLEAR SCIENCE AND TECHNIQUES,2016,27(3):-.
APA Xiao, WJ.,Wu, GY.,Li, MH.,Deng, HQ.,Zhang, W.,...&Hu, WY .(2016).MD and OKMC simulations of the displacement cascades in nickel.NUCLEAR SCIENCE AND TECHNIQUES,27(3),-.
MLA Xiao, WJ,et al."MD and OKMC simulations of the displacement cascades in nickel".NUCLEAR SCIENCE AND TECHNIQUES 27.3(2016):-.
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