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Melting and Grüneisen parameters of NaCl at high pressure

Keywords: NaCl,melting,Grüneisen,parameter,constant-volume,heat,capacity,molecular,dynamics,method

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Abstract:

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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