Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper

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	Molecular dynamics study of atomic transport properties in rapidly cooling liquid copper
	F. F. Chen; H. F. Zhang; F. X. Qin; Z. Q. Hu
	2004
发表期刊	Journal of Chemical Physics
ISSN	0021-9606
卷号	120 期号:4 页码:1826-1831
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.
部门归属	chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china.;chen, ff (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china
关键词	Transition-metals Computer-simulation Supercooled-liquid Model Fcc Potentials Diffusion
URL	查看原文
WOS记录号	WOS:000188389100017
引用统计	被引频次：54[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35324
专题	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.