The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation
Gong, HF; Wang, CB; Zhang, W; Xu, J; Huai, P; Deng, HQ; Hu, WY; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat & Engn, Shanghai 201800, Peoples R China.
2016
发表期刊NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
ISSN0168-583X
卷号368期号:-页码:75—80
文章类型期刊文献
摘要Using molecular dynamics simulation, we investigated the energy and stability of helium-related cluster in nickel. All the binding energies of the He-related clusters are demonstrated to be positive and increase with the cluster sizes. Due to the pre-existed self-interstitial nickel atom, the trapping capability of vacancy to defects becomes weak. Besides, the minimum energy configurations of He-related clusters exhibit the very high symmetry in the local atomistic environment. And for the He-N and He(N)V(1)SIA(1) clusters, the average length of He-He bonds shortens, but it elongates for the HeNV1I clusters with helium cluster sizes. The helium-to-vacancy ratio plays a decisive role on the binding energies of HeNVM cluster. These results can provide some excellent clues to insight the initial stage of helium bubbles nucleation and growth in the Ni-based alloys for the Generation-IV Molten Salt Reactor. (C) 2015 Elsevier B.V. All rights reserved.
关键词Vacancy Clusters Thermal-stability Grain-boundaries Metals Potentials Behavior Defects Fe Embrittlement Impurities
DOI10.1016/j.nimb.2015.11.036
收录类别SCI
语种英语
WOS记录号WOS:000369680700012
引用统计
被引频次:2[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/25865
专题中科院上海应用物理研究所2011-2018年
通讯作者Gong, HF; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat & Engn, Shanghai 201800, Peoples R China.
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GB/T 7714
Gong, HF,Wang, CB,Zhang, W,et al. The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2016,368(-):75—80.
APA Gong, HF.,Wang, CB.,Zhang, W.,Xu, J.,Huai, P.,...&Huai, P .(2016).The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,368(-),75—80.
MLA Gong, HF,et al."The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 368.-(2016):75—80.
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