A Molecular Dynamics Simulation of CaSiO3 Melt Under an Electric Field

• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2000,（4）
• 所属期刊栏目: Condensed matter
• 页码范围: 279-281
• 页数: 3页
• 语种: 英文

摘要

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.