| 钯的熔化结晶及玻璃转化的分子动力学模拟 |
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| 引用本文： | 郭俊梅,邓德国.钯的熔化结晶及玻璃转化的分子动力学模拟[J].贵金属,1996,17(2):1-8. |
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| 作者姓名： | 郭俊梅 邓德国 |
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| 作者单位： | 昆明贵金属研究所 |
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| 摘 要： | 用分子动力学方法模拟等温－等压系统（ＮＰＴ）下金属Ｐｄ的一级相变和非晶态转变的整个过程。原子间相互作用采用ＥＡＭ框架下的有效配对势，计算结果表明：ＥＡＭ框架下的有效配对势能较好地处理Ｐｄ系统的一级相变和玻璃转化过程。
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| 关 键 词： | 熔化 结晶 玻璃转化 分子动力学 模拟 钯 |
A Molecular Dynamics Model of Melting,Crystallization and Glass Transition in Pd |
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| Guo Junmei and Deng Deguo.A Molecular Dynamics Model of Melting,Crystallization and Glass Transition in Pd[J].Precious Metals,1996,17(2):1-8. |
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| Authors: | Guo Junmei and Deng Deguo |
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| Abstract: | A detailed study of melting,crystallization and glass transition processes of Pd atom system has been done by the effective pair potential which was obtained from the embedded-atom method in Isothermal-Isobaric ensemble using computer simulation of a molecular dynamics model.The simulation results showed that the effective pair potential was suitable for both processes of the first grade transition and the glass transition in Pd atom system. |
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| Keywords: | Melting Crystallization Glass transition Molecular dynamics simulation |
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