期刊
PHYSICA B-CONDENSED MATTER
卷 406, 期 13, 页码 2637-2641出版社
ELSEVIER
DOI: 10.1016/j.physb.2011.04.005
关键词
Melting; Molecular dynamics; Bulk silicon
资金
- NSFC [50771090, 50821001, 51002130]
The melting stage of bulk silicon is studied using classical molecular dynamics simulation. The mean square displacement and diffusion coefficient are focused allowing statistics analysis of the dynamics displacement of each atom. Three stages of the melting processes, premelting, accelerated melting and relaxation, are resolved. The structural development is evaluated through the stages by Lindemann index, non-Gaussian parameter and the second neighbor coordination number. The studies emphasize the observation that premelting occurs in the ideal crystal on melting. (C) 2011 Elsevier B.V. All rights reserved.
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