A molecular dynamics study of helium diffusion and clustering in fcc nickel
文献类型：期刊论文
| 作者 | Wang, CB; Ren, CL; Zhang, W; Gong, HF; Huai, P; Zhu, ZY; Deng, HQ; Hu, WY |
| 刊名 | COMPUTATIONAL MATERIALS SCIENCE
 |
| 出版日期 | 2015 |
| 卷号 | 107页码:54—57 |
| 关键词 | PRINCIPLES CALCULATIONS BCC IRON METALS TUNGSTEN POTENTIALS ENERGIES HYDROGEN DEFECTS BUBBLES SURFACE |
| 英文摘要 | Helium diffusion and clustering in nickel are studied by molecular dynamics simulations. Extensive atomistic simulations are performed using a modified analytic embedded-atom model. We find that the rate of helium clustering increases with increasing temperature, and interstitial helium clusters can create nickel interstitials when they reach sufficient size and temperature is higher than 600 K. Finally, the mobility of helium clusters is also investigated using trajectory time decomposition method. The diffusion properties of He clusters with 1-3 helium atoms are found to obey the Arrhenius relationship over the whole temperature range considered while He clusters with 4 helium atoms show an non-Arrhenius relationship at higher temperatures. (C) 2015 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-12-24 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/24372]  |
| 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 | Wang, CB,Ren, CL,Zhang, W,et al. A molecular dynamics study of helium diffusion and clustering in fcc nickel[J]. COMPUTATIONAL MATERIALS SCIENCE,2015,107:54—57. |
| APA | Wang, CB.,Ren, CL.,Zhang, W.,Gong, HF.,Huai, P.,...&Hu, WY.(2015).A molecular dynamics study of helium diffusion and clustering in fcc nickel.COMPUTATIONAL MATERIALS SCIENCE,107,54—57. |
| MLA | Wang, CB,et al."A molecular dynamics study of helium diffusion and clustering in fcc nickel".COMPUTATIONAL MATERIALS SCIENCE 107(2015):54—57. |
入库方式： OAI收割
来源：上海应用物理研究所
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