COMPUTERIZED SIMULATION OF LiCl GLASS USING MOLECULAR DYNAMICS METHOD

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.