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题名:
The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation
作者: Gong, HF; Wang, CB; Zhang, W; Xu, J; Huai, P; Deng, HQ; Hu, WY
刊名: NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
出版日期: 2016
卷号: 368, 期号:-, 页码:75—80
关键词: VACANCY CLUSTERS ; THERMAL-STABILITY ; GRAIN-BOUNDARIES ; METALS ; POTENTIALS ; BEHAVIOR ; DEFECTS ; FE ; EMBRITTLEMENT ; IMPURITIES
DOI: 10.1016/j.nimb.2015.11.036
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.
文章类型: 期刊文献
英文摘要: 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.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000369680700012
ISSN号: 0168-583X
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/25865
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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Recommended Citation:
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,2016-01-01,368(-):75—80.
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