| Finnis-Sinclair多体势的发展及其在金属中的应用 |
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| 引用本文： | 刘艳侠,郭怀红,王月华.Finnis-Sinclair多体势的发展及其在金属中的应用[J].辽宁大学学报(自然科学版),2006,33(4):296-300. |
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| 作者姓名： | 刘艳侠 郭怀红 王月华 |
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| 作者单位： | 辽宁大学,物理系,辽宁,沈阳,110036 |
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| 基金项目： | 辽宁省教育厅资助项目（批准号：2004F003） |
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| 摘 要： | 综述了Finnis-Sinclair多体势的发展，给出了Finnis—Sinclair多体势的各种势函数形式及几种纯金属及合金的F—S多体势参数；阐述了各种形式势函数的适用范围及其存在的问题；讨论了Finnis—Sin-clair多体势在纯金属、二元合金及三元合金中的应用情况；在此基础上，通过晶格常数α0、结合能E及体弹性模量B拟合了FeAl合金的Finnis—Sinclair多体势，并计算了B2型FeAl有序合金的缺陷性能，计算结果与实验结果一致．
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| 关 键 词： | Finnis-Sinclair多体势 Finnis-Sinclair多体势参数 多元合金． |
| 文章编号： | 1000-5846（2006）04-0296-05 |
| 收稿时间： | 2006-05-22 |
| 修稿时间： | 2006-05-22 |
The Development of Finnis-Sinclair Many-body Potential and Its Application in Metal |
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| LIU Yan-xia,GUO Huai-hong,WANG Yue-hua.The Development of Finnis-Sinclair Many-body Potential and Its Application in Metal[J].Journal of Liaoning University(Natural Sciences Edition),2006,33(4):296-300. |
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| Authors: | LIU Yan-xia GUO Huai-hong WANG Yue-hua |
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| Institution: | Department of Physics, Liaoning University, Shenyang 110036, China |
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| Abstract: | The development of Finnis-Sinclair many-body potential was commented synthetically,several form of Finnis-Sinclair many-body potential and its parameters of several pure metals and alloys were presented in this paper.The range of application of different potential functions in various metals and alloys as well as the correlative problems existed were proposed.Its application in pure metal,binary and ternary alloys were discussed.The potential functions of the ordered alloy FeAl with B2 structure were constructed by fitting the lattice paramter a_0,cohesive energy E and bulk modulus B.Based on the potentials and also for the point defects properties had been calculate,and the results agreed with the experiments. |
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| Keywords: | many - body potential many - body potential parameter multi - element alloy |
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