| 一种近似计算金属多空位形成能的方法 |
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| 引用本文： | 贾冲,张喜燕.一种近似计算金属多空位形成能的方法[J].南京大学学报(自然科学版),2009,45(2). |
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| 作者姓名： | 贾冲 张喜燕 |
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| 作者单位： | [1]西南交通大学材料科学与工程学院,成都 610031 [2]重庆大学材料科学与工程学院,重庆400000 [3]广西大学物理科学与工程技术学院,南宁 530004 |
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| 基金项目： | 国家自然科学项目(50461001) |
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| 摘 要： | 空位以及多空位的形成能的计算对研究空演位变行为有重要意义.本文利用已经现有的单、双空位形成能结果,采用刚性球模型来表达空位,得出了金属多空位形成能的计算公式,并且进行了讨论.计算了部分体心立方过渡金属的多空位形成能（3空位,4空位）和结合能,并与现有的结果进行比较,结果相差较小.
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| 关 键 词： | 空位 空位形成能 空位结合能 多空位 |
A method to estimate vacancy-cluster formation energy of metals |
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| Jia Chong,Zhang Xi-Yan,.A method to estimate vacancy-cluster formation energy of metals[J].Journal of Nanjing University: Nat Sci Ed,2009,45(2). |
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| Authors: | Jia Chong Zhang Xi-Yan |
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| Institution: | 1.School of Material Science and Engineering;Southwest Jiaotong University;Chengdu 610031;China;2.School of Material Science and Engineering;Congqing University;Chongqing 400000;3.School of Physics Science and Engineering;Guangxi University;Nanning;530004;China |
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| Abstract: | The calculation of vacancy and vacancy-cluster formation energy is significant important to the vacancies evolution.The present results of mono-vacancy and di-vacancy formation energy were used.The vacancy is considered as a rigid ball,and the formula that to calculate the multi-vacancy formation energy was gotten and discussed.The formation and cohesive energy of the vacancies in BCC transition metals were calculated,which were compared with present result,both the results are matched. |
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| Keywords: | vacancy vacancy formation energy vacancy cohesive energy vacancy-cluster |
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