A Molecular Dynamics Simulation of CaSiO₃ Melt Under an Electric Field

The results of a molecular dynamics (MD) simulation are presented for CaSiO₃ melt under an electric field. The two-body interaction potential is adopted in the simulation, with parameters chosen so that the calculated static structure is consistent with results of high temperature x-ray experiments. It is found that the MD results for the heat capacity at constant volume, the self-diffusion coefficient and the electrical conductivity change greatly when the electric field is over 500 MV/m. Discussion is given on these results, together with the frequency-dependent electrical conductivity.