| Ag、Cu、Au、Ni、Pd、Pt的Long-range Finis-Sinclair势构建及其二元合金形成焓的计算 |
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| 引用本文： | 刘艳侠,顾慧,刘磊,孙佳佳,高岩.Ag、Cu、Au、Ni、Pd、Pt的Long-range Finis-Sinclair势构建及其二元合金形成焓的计算[J].辽宁大学学报(自然科学版),2009,36(3):193-196. |
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| 作者姓名： | 刘艳侠 顾慧 刘磊 孙佳佳 高岩 |
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| 作者单位： | 辽宁大学,物理学院,辽宁,沈阳,110036 |
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| 基金项目： | 辽宁省教育厅基金资助项目 |
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| 摘 要： | 构建了fcc金属Cu、Ag、Au、Ni、Pd、Pt的Long-range Finnis-Sinclair势,并利用晶格常数、体弹性模量和金属的内聚能的实验数据拟合了这几种金属的Long-range Finnis-Sinclair势参数;利用Miedema理论和所构建的原子间相互作用势计算了Cu,Ag,Au,Ni,Pd,Pt的二元合金的形成焓.对两种计算结果进行了比较,并与已有的实验结果进行了比较.结果表明,使用Long-range Finnis-Sinclair势计算合金的形成焓能够得到令人满意的结果.
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| 关 键 词： | Long-range Finnis-Sinclair势 Miedema理论 形成焓 |
Long-range Finnis-Sinclair potential and the calculation of the formation enthalpy of its binary alloy for Ag,Cu,Au,Ni,Pd,Pt |
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| LIU Yan-xia,GU Hui,LIU Lei,SUN Jia-jia,GAO Yan.Long-range Finnis-Sinclair potential and the calculation of the formation enthalpy of its binary alloy for Ag,Cu,Au,Ni,Pd,Pt[J].Journal of Liaoning University(Natural Sciences Edition),2009,36(3):193-196. |
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| Authors: | LIU Yan-xia GU Hui LIU Lei SUN Jia-jia GAO Yan |
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| Institution: | College of Physics;Liaoning University;Shenyang 110036;China |
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| Abstract: | Semiempirical interatomic potentials for fcc metals Cu,Ag,Au,Ni,Pd and Pt have been constructed based on Long-range Finnis-Sinclair potential.The present potentials reproduced the experimental information,such as lattice constant,elastic modulus and cohesive energy for Cu,Ag,Au,Ni,Pd and Pt.The formation enthalpy of binary alloy for these metals are calculated by Miedema theory and the present interatomic potentials.Two results were comparcd with each other and that compaired with existing experimental data... |
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| Keywords: | Long-range |
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