1. A Molecular Dynamics Simulation of CaSiO 3 Melt Under an Electric Field
- Author
-
Jiang Guochang, XU Kuangdi, Huang Shi-Ping, You Jing-Pin, and Fukuo Yoshida
- Subjects
Molecular dynamics ,Materials science ,Interaction potential ,Volume (thermodynamics) ,Electrical resistivity and conductivity ,Electric field ,General Physics and Astronomy ,Thermodynamics ,Statistical physics ,Static structure ,Constant (mathematics) ,Heat capacity - Abstract
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.
- Published
- 2000
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