| 金刚石膜的计算机虚拟制备技术中的分子动力学模拟 |
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| 引用本文： | 安希忠,刘国权,张禹,秦湘阁,刘俊友.金刚石膜的计算机虚拟制备技术中的分子动力学模拟[J].功能材料,2002,33(2):162-165. |
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| 作者姓名： | 安希忠 刘国权 张禹 秦湘阁 刘俊友 |
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| 作者单位： | 北京科技大学材料学院,北京,100083 |
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| 基金项目： | 国家自然科学基金资助项目 (59872 0 0 3) |
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| 摘 要： | 综述了近年来金刚石薄膜形成过程的分子动力学（Molecular Dynamics，简称MD）模拟研究，详细地阐述了原子间相互作用势的选取，总结了不同沉积条件下MD的计算模型和几种典型情况下的模拟结果。研究表明：在原子尺度上，MD方法能较全面地提供有关膜生长的信息，对进一步了解金刚石膜形成的微观机制以及为细观层次仿真提供基本信息均具有重要意义。
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| 关 键 词： | 金刚石膜 虚拟制备 分子动力学模拟 原子间作用势 |
| 文章编号： | 1001-9731(2002)02-0162-04 |
| 修稿时间： | 2000年12月25 |
Molecular dynamics simulation for the formation of diamond film |
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| AN Xi zhong,LIU Guo quan,ZHANG Yu,QIN Xiang ge,LIU Jun you.Molecular dynamics simulation for the formation of diamond film[J].Journal of Functional Materials,2002,33(2):162-165. |
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| Authors: | AN Xi zhong LIU Guo quan ZHANG Yu QIN Xiang ge LIU Jun you |
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| Abstract: | In this paper, recent developments of the Molecular Dynamics (MD) simulation for the formation of diamond films were presented. The interatomic potentials, the most important input for the MD simulation were discussed in detail; meanwhile the computation models under different conditions and some typical simulation results were provided. The results indicated that, at the atomic scale, the MD method could provide a variety of information of diamond films growth, helping to understand the micro mechanism of the diamond films formation. |
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| Keywords: | diamond films virtual synthesis MD simulation interatomic potentials |
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