A Lennard-Jones embedded-atom potential and its application to the study of melting

• 来源期刊: 中国物理（英文版）
• 学科: 物理学
• 关键词: many-body effects melting molecular dynamics
• 年，卷（期）: 2002,（2）
• 页码范围: 139-143
• 页数: 5页
• 分类号: O4
• 语种: 英文

摘要

The nearest-neighbour Lennard-Jones potential from the embedded-atom method is extended to a form thatincludes more than nearest neighbours. The model has been applied to study melting with molecular dynamics. Thecalculated melting point, fractional volume change on melting, heat of fusion and linear coefficients of thermal expansionare in good agreement with experimental data. We have found that the second and third neighbours influence the meltingpoint distinctly.