A Molecular Dynamics Simulation of CaSiO3 Melt Under an Electric Field
HUANG Shi-Ping1, YOU Jing-Pin1, JIANG Guo-Chang1, F. Yoshida2, XU Kuang-Di1
1Shanghai Enhanced Laboratory of Ferro-metallurgy, Shanghai University, Shanghai 200072
2Department of Physics, Shiga University of Medical Science, Shiga 520-2192, Japan
A Molecular Dynamics Simulation of CaSiO3 Melt Under an Electric Field
1Shanghai Enhanced Laboratory of Ferro-metallurgy, Shanghai University, Shanghai 200072
2Department of Physics, Shiga University of Medical Science, Shiga 520-2192, Japan
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.
(Structure of associated liquids: electrolytes, molten salts, etc.)
引用本文:
HUANG Shi-Ping;YOU Jing-Pin;JIANG Guo-Chang;F. Yoshida;XU Kuang-Di. A Molecular Dynamics Simulation of CaSiO3 Melt Under an Electric Field[J]. 中国物理快报, 2000, 17(4): 279-281.
HUANG Shi-Ping, YOU Jing-Pin, JIANG Guo-Chang, F. Yoshida, XU Kuang-Di. A Molecular Dynamics Simulation of CaSiO3 Melt Under an Electric Field. Chin. Phys. Lett., 2000, 17(4): 279-281.
2000, Vol. 17 
