Development of a pair potential for Ni-He
文献类型：期刊论文
| 作者 | 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
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：上海应用物理研究所
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