Structure and transport properties of molten NaCl and AgI by computer simulation

被引：17

作者：

Koishi, T ^{[1
]}

Tamaki, S

机构：

[1] Niigata Univ, Grad Sch Sci & Technol, Niigata 9502181, Japan

[2] Niigata Univ, Fac Sci, Dept Phys, Niigata 9502181, Japan

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1999年 / 250卷

关键词：

D O I：

10.1016/S0022-3093(99)00282-3

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The molecular dynamics calculations are carried out for molten NaCl and AgI. The radial distribution function and their configurational fluctuation are calculated and the difference between the fluctuation of NaCl and that of AgI is confirmed. The electrical conductivities are also obtained by using the non-equilibrium molecular dynamics method, and these results agree with the experimental conductivities, Furthermore, the deviation from the Nernst-Einstein relation is derived and the relation of the structural fluctuation and the deviation is discussed. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：501 / 505

页数：5

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