Melting Curve of FeO from Molecular Dynamics Simulations

The shell model molecular dynamics method is applied to simulate the melting temperatures of FeO at elevated temperature and high pressure and to calculate the P-V equation of state of FeO up to 140 GPa at 300 K.In order to account for the superheating melting of the molecular dynamic simulation,the simulated melting temperatures of FeO is corrected by modern theory of melting.Consequently,the melting temperatures of FeO are accurately obtained at elevated temperature and high pressure.Therefore,it is shown that shell model molecular dynamics simulation at constant pressure indeed provides a useful tool for studying the melting temperatures of other materials under high pressures.