| Melting and Grüneisen parameters of NaCl at high pressure |
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| 引用本文： | 陈其峰,蔡灵仓,段素青,陈栋泉.Melting and Grüneisen parameters of NaCl at high pressure[J].中国物理 B,2004,13(7):1091-1095. |
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| 作者姓名： | 陈其峰 蔡灵仓 段素青 陈栋泉 |
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| 作者单位： | (1)Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Mianyang 621900, China; (2)Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Mianyang 621900, China; Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China; (3)Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China |
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| 基金项目： | Project supported by the Science and Technology Foundation of the China Academy of Engineering Physics (Grant No 200103), and the Foundation of Laboratory for Shock Wave and Detonation Physics Research (Grant No 51478030203ZW0902). |
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| 摘 要： | The Buckingham potential has been employed to simulate the melting and thermodynamic parameters of sodium chloride (NaCl) using the molecular dynamics (MD) method. The constant-volume heat capacity and Grüneisen parameters have been obtained in a wide range of temperatures. The calculated thermodynamic parameters are found to be in good agreement with the available experimental data. The NaCl melting simulations appear to validate the interpretation of superheating of the solid in the one-phase MD simulations. The melting curve of NaCl is compared with the experiments and other calculations at pressure 0－30GPa range.
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| 关 键 词： | NaCl melting Grüneisen parameter constant-volume heat capacity molecular dynamics method |
| 收稿时间： | 2003-09-28 |
| 修稿时间： | 2/4/2004 12:00:00 AM |
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