Molecular Dynamics Simulations for Melting Temperatures of SrF₂ and BaF₂

The shell-model molecular dynamics method was applied to simulate the melting temperatures of SrF₂ and BaF₂ at elevated temperatures and high pressures. The same method was used to calculate the equations of state for SrF₂ and BaF₂ over the pressure range of 0.1 MPa-3 GPa and 0.1 MPa-7 GPa. Compared with previous results for equations of state,the maximum errors are 0.3% and 2.2%, respectively. Considering the pre-melting in the fluorite-type crystals, we made the necessary corrections for the simulated melting temperatures of SrF₂ and BaF₂. Consequently, the melting temperatures of SrF₂ and BaF₂ were obtained for high pressures. The melting temperatures of SrF₂ and BaF₂ that were obtained by the simulation are in good agreement with available experimental data.