| 氧化锂的作用势的构建及研究 |
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| 引用本文： | 朱自强,曾雨竹,杨莉.氧化锂的作用势的构建及研究[J].达县师范高等专科学校学报,2012(2):32-34. |
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| 作者姓名： | 朱自强 曾雨竹 杨莉 |
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| 作者单位： | 电子科技大学应用物理系,成都610054 |
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| 基金项目： | 电子科技大学“985工程”之“优秀教学团队支持计划（本科生）”（A1098521-041）; 中央高校基本科研业务费专项资金（ZYGX2009J040） |
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| 摘 要： | 采用分子动力学方法拟合了氧化锂（Li2O）的解析型键序相互作用势（BOP）,用拟合得到的作用势测试了锂的结构稳定性和力学性能,发现与实验符合.并用这套作用势测试了氧化锂的一些物理性能和缺陷形成能.
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| 关 键 词： | 氧化锂 分子动力学 BOP作用势 |
A Study of the Potential Construction of Lithium Oxide |
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| ZHU Zi -qiang,ZENG Yu -zhu,YANG Li.A Study of the Potential Construction of Lithium Oxide[J].Journal of Daxian Teachers College,2012(2):32-34. |
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| Authors: | ZHU Zi -qiang ZENG Yu -zhu YANG Li |
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| Institution: | (Applied Physics Department of Electronic Science and Technology University, Chengdu Sichuan 610054, China) |
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| Abstract: | The analytical bond - order potential （BOP） of Li20 was fitted to using the molecular dynamic method. Then the sta- bility of structure and mechanical properties of lithium were tested by the fitted Li - Li potential, and the results are in good a- greement with the experimental values. Some of qualities and defect formation energy of Li20 were also tested using the Li - Li and 0 - Li, 0 - 0 potentials. |
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| Keywords: | lithium oxide molecular dynamics BOP potential |
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