| 钯在一级相变和玻璃转化过程的拓扑结构 |
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| 引用本文： | 郭俊梅,邓德国.钯在一级相变和玻璃转化过程的拓扑结构[J].贵金属,1996,17(3):1-9. |
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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： | 用分子动力学法模拟了（ＮＰＴ）系综下金属Ｐｄ的一级相变和玻璃转化的整个过程，考察了不同冷却速度条件下Ｐｄ在相转变过程中的结构变化特征，用Ｖｏｒｏｎｏｉ多面体分析的方法对以上各个过程进行了拓扑分析，得出对应于晶态、液态和非晶态物质的各种特征结构，从原子尺度上解释了一级相变和玻璃转化过程中系统微观结构的变化。
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| 关 键 词： | 钯 拓扑结构 一级相变 玻璃转化 |
Topological Structure of Pd in the Processes of First-Grade Phase Transe Transiton and Glass Transition |
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| Guo Junmei and Deng Deguo.Topological Structure of Pd in the Processes of First-Grade Phase Transe Transiton and Glass Transition[J].Precious Metals,1996,17(3):1-9. |
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| Authors: | Guo Junmei and Deng Deguo |
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| Abstract: | Computer simulation with a molecular dynamics model has been used to study the melting,crystallization,and glass transition processes of Pd in(NPT)ensemble.During the quenching process,the feature of structure transition has been observed under different cooling rates.Voronoi ployhedrons analysis has been applied to carry out TP analysis so the feature structures corresponding to crystal,liquid,and galss have been obtained.More over,the microstructure in the process of melting,crystallization,and glass transition has al so been explained on the atom scale. |
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| Keywords: | Palladium Topological structure First-Grade phase transition Glass transition |
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