| 液态Au和Ag冷却过程的分子动力学模拟 |
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| 引用本文： | 管立,吴爱玲,张晓茹.液态Au和Ag冷却过程的分子动力学模拟[J].计算物理,2001,18(4):356-359. |
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| 作者姓名： | 管立 吴爱玲 张晓茹 |
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| 作者单位： | 山东大学物理与微电子学院, 山东 济南 250061 |
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| 摘 要： | 采用反映原子多体相互作用的FS势模型,通过分子动力学方法研究了贵金属Au、Ag在温度2000~300 K之间的冷却过程,考察其结构变化特点,给出了冷却过程微观结构转变的重要信息.
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| 关 键 词： | FS多体势 液态金属 分子动力学模拟 结晶 |
| 文章编号： | 1001-246X(2001)04-0356-04 |
| 收稿时间： | 1999-12-21 |
| 修稿时间： | 1999年12月21 |
MOLECULAR DYNAMICS SIMULATIONS OF THE CRYSTALLIZATION OF LIQUID Au AND Ag |
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| GUAN Li,WU Ai-ling,ZHANG Xiao-ru.MOLECULAR DYNAMICS SIMULATIONS OF THE CRYSTALLIZATION OF LIQUID Au AND Ag[J].Chinese Journal of Computational Physics,2001,18(4):356-359. |
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| Authors: | GUAN Li WU Ai-ling ZHANG Xiao-ru |
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| Institution: | College of Physics and Microelectronics, Shandong University, Jinan 250061, P R China |
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| Abstract: | Based on many body potential model,the crystallizing processes of Au and Ag are investigated by means of molecular dynamics simulation technique.The pairs analysis method is applied to compare the difference of the local symmetry of molecular cluster between both atoms.In the process of crystallization, the rebuild of the local cluster and the transformation of pairs is found to be from 1661、1441 to 1421、1422.The other important information given is about the microstructure of Au,Ag. |
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| Keywords: | F-SN-body potential liquid metal molecular dynamics simulation crystallization |
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