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| 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 | |
| Source Publication | NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
 |
| ISSN | 0168-583X |
| Volume | 368Issue:-Pages:75—80 |
| Subtype | 期刊文献 |
| Abstract | 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. |
| Keyword | Vacancy Clusters Thermal-stability Grain-boundaries Metals Potentials Behavior Defects Fe Embrittlement Impurities |
| DOI | 10.1016/j.nimb.2015.11.036 |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000369680700012 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/25865 |
| Collection | 中科院上海应用物理研究所2011-2020年 |
| Corresponding Author | Gong, HF; Huai, P (reprint author), Chinese Acad Sci, Shanghai Inst Appl Phys, Div Nucl Mat & Engn, Shanghai 201800, Peoples R China. |
| Recommended Citation 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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| The energy and stabi（1828KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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