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Citation: Shao Jun, Tang Zheng-Quan. The Microscopic Holes and the Transportation Properties in LiCl Quenching Process Based Upon the Molecular Dynamics Simulation[J]. Acta Physico-Chimica Sinica, ;1991, 7(05): 553-557. doi: 10.3866/PKU.WHXB19910508 shu

The Microscopic Holes and the Transportation Properties in LiCl Quenching Process Based Upon the Molecular Dynamics Simulation

1.
Department of Chemistry, Shanghai University of Science and Technology, Shanghai 201800

Received Date: 4 June 1990
Available Online: 15 October 1991

In this paper we report the method of calculating the positions and the size of the microscopic holes exist in condensed matter on the basis of the phase orbit obtained from the computer simulation. We have calculated lots of microscopic holes in LiCl system at different temperatures and have defined the radial distribution function of the microscopic holes to describe the statistical distribution of them better. We also have obtained the distribution character of the microscopic holes with different radii. In the paper we discuss the relationship among the volume of the microscopic holes, self-diffusion coefficient and shear viscosity as well.
- Computer simulation; Microscopic hole; Statistical model
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