Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper
文献类型：期刊论文
| 作者 | F. F. Chen ; H. F. Zhang ; F. X. Qin ; Z. Q. Hu |
| 刊名 | Journal of Chemical Physics
 |
| 出版日期 | 2004 |
| 卷号 | 120期号:4页码:1826-1831 |
| 关键词 | transition-metals computer-simulation supercooled-liquid model fcc potentials diffusion |
| ISSN号 | 0021-9606 |
| 中文摘要 | Based on Mei's embedded atom model [Mei , Phys. Rev. B 43, 4653 (1991)] molecular dynamics simulations have been performed to investigate the rapidly cooling processes of Cu. The atomic transport property, namely the self-diffusion coefficient, is computed in the liquid state, and the results near the melting point of Cu are in good agreement with experimental data and other computational values. The atom diffusion movements during the long period of relaxation have been also studied around the solidification temperature T-c. To describe the complex microstructural evolutions during the rapidly cooling processes and the long relaxation processes, the pair correlation function and the pair analysis technique are used. It is demonstrated that the crystallization of amorphous Cu is caused by the atomic diffusion. (C) 2004 American Institute of Physics. |
| 原文出处 | |
| 公开日期 | 2012-04-14 |
| 源URL | [http://ir.imr.ac.cn/handle/321006/35324]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | F. F. Chen,H. F. Zhang,F. X. Qin,et al. Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper[J]. Journal of Chemical Physics,2004,120(4):1826-1831. |
| APA | F. F. Chen,H. F. Zhang,F. X. Qin,&Z. Q. Hu.(2004).Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper.Journal of Chemical Physics,120(4),1826-1831. |
| MLA | F. F. Chen,et al."Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper".Journal of Chemical Physics 120.4(2004):1826-1831. |
入库方式： OAI收割
来源：金属研究所
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