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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
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| Cite this article: |
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HUANG Shi-Ping, YOU Jing-Pin, JIANG Guo-Chang et al 2000 Chin. Phys. Lett. 17 279-281 |
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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.
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61.20.Ja
61.20.Qg
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Published: 01 April 2000
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| PACS: |
61.20.Ja
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(Computer simulation of liquid structure)
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61.20.Qg
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(Structure of associated liquids: electrolytes, molten salts, etc.)
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