| A Lennard—Jones embedded—atom potential and its application to the study of melting |
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| 引用本文： | 王暾,周富信,刘曰武.A Lennard—Jones embedded—atom potential and its application to the study of melting[J].中国物理 B,2002,11(2):139-143. |
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| 作者姓名： | 王暾 周富信 刘曰武 |
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| 作者单位： | State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080, China |
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| 基金项目： | Project supported by the National Natural Science Foundation of China (Grant No. 19772066). |
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| 摘 要： | 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.
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| 关 键 词： | 熔化 多体效应 分子动力学 |
| 收稿时间： | 2001-07-17 |
A Lennard-Jones embedded-atom potential and its application to the study of melting |
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| Wang Tun,Zhou Fu-Xin and Liu Yue-Wu.A Lennard-Jones embedded-atom potential and its application to the study of melting[J].Chinese Physics B,2002,11(2):139-143. |
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| Authors: | Wang Tun Zhou Fu-Xin and Liu Yue-Wu |
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| Institution: | State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080, China |
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| 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. |
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| Keywords: | many-body effects melting molecular dynamics |
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