MD and OKMC simulations of the displacement cascades in nickel

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	MD and OKMC simulations of the displacement cascades in nickel
	Xiao, WJ; Wu, GY; Li, MH; Deng, HQ; Zhang, W; Huai, P; Hu, WY
刊名	NUCLEAR SCIENCE AND TECHNIQUES
	2016
卷号	27 期号:3 页码:-
关键词	Displacement cascades Molecular dynamics simulation Object kinetic Monte Carlo
ISSN号	1001-8042
通讯作者	Hu, WY (reprint author), Hunan Univ, Dept Appl Phys, Sch Phys & Elect, Changsha 410012, Hunan, Peoples R China.
英文摘要	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.
收录类别	SCI
语种	英语
WOS记录号	WOS:000380038900008
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/26568]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	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):-.