Simulated Melting Curve of NaCl up to 200 kbar

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.