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COMPUTERIZED SIMULATION OF LiCl GLASS USING MOLECULAR DYNAMICS METHOD |
| SHAO Jun*;CHEN Nianyi;XU Hua |
| *Department of Chemistry, Shanghai University of Science and Technology, Shanghai
Shanghai Institute of Metallurgy, Academia Sinica, Shanghai |
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| Cite this article: |
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SHAO Jun, CHEN Nianyi, XU Hua 1988 Chin. Phys. Lett. 5 521-523 |
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Abstract In molecular simulation of LiCl glass, it is observed that the peak of the radial distribution splits into two subpeaks in the temperature range from 498K to 298K. The diffusion coefficients of Li+ and C1- ions at 498K are 7 and 4 times greater than those at 298K respectively. It is shown that cavities present in the simulated fluids. The dependence of the properties of the cavity on the temperature is studied. It is clear that when the fluid is quenched into a glass, the cavity structure of the parent fluid is frozen in also.
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| Keywords:
6410D
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Published: 01 November 1988
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