| 二十面体准晶对非晶形成影响的模拟 |
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| 引用本文： | 周国荣,吴佑实,张川江,赵芳.二十面体准晶对非晶形成影响的模拟[J].物理化学学报,2003,19(1):13-16. |
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| 作者姓名： | 周国荣 吴佑实 张川江 赵芳 |
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| 作者单位： | College of Materials Science and Engineering, Shandong University (Southern Campus), Jinan 250061 |
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| 基金项目： | 山东省自然科学基金(Y2000B02)资助项目~ |
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| 摘 要： | 采用分子动力学模拟技术,以液态金属Ni为例,研究了在不同冷却条件下形成晶体及非晶的过程.模拟采用镶嵌原子法(EAM)作用势,得到了不同温度、不同冷却速度下Ni的径向分布函数以及原子组态变化的重要信息,利用键对分析技术探讨了二十面体准晶对非晶形成的影响.
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| 关 键 词： | 二十面体准晶 分子动力学模拟 镶嵌原子法作用势 |
| 收稿时间： | 2002-05-14 |
| 修稿时间： | 2002年5月14日 |
Molecular Dynamics Simulations of the Effect of lcosahedral Quasicrystal on the Formation of Amorphous |
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| Zhou Guo Rong,Wu You Shi,Zhang Chuan Jiang,Zhao Fang.Molecular Dynamics Simulations of the Effect of lcosahedral Quasicrystal on the Formation of Amorphous[J].Acta Physico-Chimica Sinica,2003,19(1):13-16. |
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| Authors: | Zhou Guo Rong Wu You Shi Zhang Chuan Jiang Zhao Fang |
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| Institution: | College of Materials Science and Engineering, Shandong University (Southern Campus), Jinan 250061 |
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| Abstract: | By means of molecular dynamics simulation technique,the solidification process of Ni under different cooling rates has been studied.The variation of potential energy with temperature and the relationship between the energy and the structure of molecular cluster have also been studied.With pair distribution function and pairs analysis method,the local symmetry of molecular cluster has been analyzed.From the view of pairs analysis,the conclusion has been discussed. |
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| Keywords: | Icosahedral quasicrystal Molecular dynamics simulations EAM(embeded atom method) potential |
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