The energy and stability of helium-related cluster in nickel: A study of molecular dynamics simulation
文献类型：期刊论文
| 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 |
| ISSN号 | 0168-583X |
| 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. |
| 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 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/25865]  |
| 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 | 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.,...&Hu, WY.(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. |
入库方式： OAI收割
来源：上海应用物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。