Development of a pair potential for Ni-He

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	Development of a pair potential for Ni-He
	Zhang, W; Wang, CB; Gong, HF; Xu, ZJ; Ren, CL; Dai, JX; Huai, P; Zhu, ZY; Deng, HQ; Hu, WY
刊名	JOURNAL OF NUCLEAR MATERIALS
	2016
卷号	472 期号:-页码:105—109
关键词	INITIO MOLECULAR-DYNAMICS TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET FE-HE HELIUM METALS NICKEL IRON SIMULATIONS TRANSITION
ISSN号	0022-3115
通讯作者	Zhang, W (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
英文摘要	An interatomic potential for helium in bulk nickel was developed by fitting first-principles calculation results. This two-body Ni-He potential can give a good description of relative stability and migration of interstitial and substitutional He defects in bulk nickel. The zero-temperature binding energies of additional He to existing He-vacancy clusters and interstitial He clusters were studied and found in agreement with first-principles calculations. (C) 2016 Elsevier B.V. All rights reserved.
收录类别	SCI
语种	英语
WOS记录号	WOS:000373489700014
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/25681]
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	Zhang, W,Wang, CB,Gong, HF,et al. Development of a pair potential for Ni-He[J]. JOURNAL OF NUCLEAR MATERIALS,2016,472(-):105—109.
APA	Zhang, W.,Wang, CB.,Gong, HF.,Xu, ZJ.,Ren, CL.,...&Hu, WY.(2016).Development of a pair potential for Ni-He.JOURNAL OF NUCLEAR MATERIALS,472(-),105—109.
MLA	Zhang, W,et al."Development of a pair potential for Ni-He".JOURNAL OF NUCLEAR MATERIALS 472.-(2016):105—109.