Molecular dynamics calculation of structure and transport properties for molten YCl3

被引：11

作者：

Okamoto, Y

Hayashi, H

Ogawa, T

机构：

[1] Dept. of Chemistry and Fuel Research, Japan Atom. Ener. Research Institute, Ibaraki-ken 319-11, Tokaimura, Naka-gun

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1996年 / 205卷

关键词：

D O I：

10.1016/S0022-3093(96)00433-4

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：

Molecular dynamics (MD) simulation of molten YCl3 was performed using a Yukawa-type screened coulomb potential. The simulation resulted in a satisfactory reproduction of the measured liquid structure and electrical conductivity. Shear viscosity of molten YCl3, which has not been reported yet, was calculated and compared with the corresponding-states data correlation proposed by Janz et al. [Int. J. Thermophys. 10 (1989) 159].

引用

页码：139 / 142

页数：4

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