| 冲击波下金属铜的分子动力学模拟 |
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| 引用本文： | 赵艳红,张广财,李英骏. 冲击波下金属铜的分子动力学模拟[J]. 聊城大学学报(自然科学版), 2005, 18(2): 26-28 |
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| 作者姓名： | 赵艳红 张广财 李英骏 |
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| 作者单位： | 中国矿业大学(北京校区)理学院#5,北京,100083;北京应用物理与计算数学研究所,北京,100088 |
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| 摘 要： | 对4000个铜原子组成的面心立方晶体进行了近似冲击波的模拟，发现对完整晶体在一定的范围内，冲击波的强弱、外界的温度对晶体结构的影响都不大；加入少许的点缺陷后，晶体内部的应力和能量相对完整晶体变化并不显著，从而说明在考虑系统的状态方程时将带有少量点缺陷的晶体近似为理想晶体的做法是可行的．
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| 关 键 词： | 分子动力学 冲击波 点缺陷 |
| 文章编号： | 1672-6634(2005)02-0026-03 |
| 修稿时间： | 2005-02-12 |
Molecular Dynamics Simulation of Shock Wave Compression of Copper |
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| ZHAO Yan-hong,ZHANG Guang-cai,LI Ying-jun. Molecular Dynamics Simulation of Shock Wave Compression of Copper[J]. JOURNAL OF LIAOCHENG UNIVERSITY (NATURAL SCIENCE, 2005, 18(2): 26-28 |
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| Authors: | ZHAO Yan-hong ZHANG Guang-cai LI Ying-jun |
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| Affiliation: | ZHAO Yan-hong 1) ZHANG Guang-cai 2) LI Ying-jun 1) |
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| Abstract: | The system of 4000 atoms is simulated in shock waves. We find the intensity of shock wave,temperature affect faintly the structure of perfect crystal in a limited range. The pressure and energy of the crystal with some point defects vary little. That is to say the method which looks crystal with a few point defects as perfect one is viable when we study state function of the system, but point defects affect much radial distribution functions. |
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| Keywords: | molecular dynamics shock wave point defects |
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