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题名: MD and OKMC simulations of the displacement cascades in nickel
作者: Xiao, WJ; Wu, GY; Li, MH; Deng, HQ; Zhang, W; Huai, P; Hu, WY
刊名: NUCLEAR SCIENCE AND TECHNIQUES
出版日期: 2016
卷号: 27, 期号:3, 页码:-
关键词: Displacement cascades ; Molecular dynamics simulation ; Object kinetic Monte Carlo
DOI: 10.1007/s41365-016-0057-y
通讯作者: Hu, WY (reprint author), Hunan Univ, Dept Appl Phys, Sch Phys & Elect, Changsha 410012, Hunan, Peoples R China.
文章类型: 期刊论文
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
ISSN号: 1001-8042
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/26568
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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