Simulated Melting Curve of NaCl up to 200 kbar

程新路; 刘子江; 蔡灵仓; 张芳沛

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Simulated Melting Curve of NaCl up to 200 kbar

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The melting curve of NaCl is studied up to 200 kbar by means of the shell-model molecular dynamics method,using massive shell core interaction potentials.The model for the interatomic interaction is shown to produce reasonable results at a wide range of pressures in bulk transitions.The pressure dependence of the melting curve of NaCl was calculated and the result was modified on the assumption of overheating due to the small system size and small time scale simulation.The final result is in good agreement with the corrected experimental values,accounting for melting mechanisms such as surface heating or superheating.Therefore,it is believed that bulk transition simulation at constant pressure indeed provides a useful tool for studying the melting transition.

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《中国物理快报：英文版》 |2003年第11期|2078-2080|共3页
作者
程新路; 刘子江; 蔡灵仓; 张芳沛;
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作者单位

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

Department of Physics,Lanzhou Teachers College,Lanzhou 730070;

Laboratory for Shock Wave and Detonation Physics Research,Institute of Fluid Physics,China Academy of Engineering Physics,Mianyang 621900;

Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065;

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Simulated Melting Curve of NaCl up to 200 kbar

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