Abstract The nearest-neighbour Lennard-Jones potential from the embedded-atom method is extended to a form that includes more than nearest neighbours. The model has been applied to study melting with molecular dynamics. The calculated melting point, fractional volume change on melting, heat of fusion and linear coefficients of thermal expansion are in good agreement with experimental data. We have found that the second and third neighbours influence the melting point distinctly.
Received: 17 July 2001
Revised: 28 September 2001
Accepted manuscript online:
PACS:
64.70.D-
(Solid-liquid transitions)
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 19772066).
Cite this article:
Wang Tun (王暾), Zhou Fu-Xin (周富信), Liu Yue-Wu (刘曰武) A Lennard-Jones embedded-atom potential and its application to the study of melting 2002 Chinese Physics 11 139
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