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Simulated Melting Curve of NaCl up to 200 kbar |
| CHENG Xin-Lu1;LIU Zi-Jiang1,2;CAI Ling-Cang3;ZHANG Fang-Pei1 |
| 1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065
2Department of Physics, Lanzhou Teachers College, Lanzhou 730070
3Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900 |
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| Cite this article: |
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CHENG Xin-Lu, LIU Zi-Jiang, CAI Ling-Cang et al 2003 Chin. Phys. Lett. 20 2078-2080 |
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Abstract 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 is 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 account for the melting mechanism 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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| Keywords:
91.60.-x
91.60.Fe
91.60.Gf
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Published: 01 November 2003
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| PACS: |
91.60.-x
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(Physical properties of rocks and minerals)
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91.60.Fe
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(Equations of state)
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91.60.Gf
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(High-pressure behavior)
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