The structure of molten AgCl revisited

被引：6
|
作者：
Trullas, J
Alcaraz, O
Silbert, M
机构：
[1] Univ Politecn Catalunya, Dept Fis & Engn Nucl, Barcelona 08034, Spain
[2] Univ E Anglia, Sch Chem Sci, Norwich NR4 7TJ, Norfolk, England
来源：
JOURNAL OF NON-CRYSTALLINE SOLIDS | 2002年 / 312-14卷
关键词：
D O I：
10.1016/S0022-3093(02)01707-6
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：
We have studied the total structure of molten AgCl at 1073 K by means of two polarizable ion models via molecular dynamics simulations. The model potentials consisted of either the Vashishta-Rahman (VR) or the Born-Mayer rigid-ion potentials to which the anion-induced polarization contribution is added. Both model potentials reproduce well the main features of the structure of molten AgCl with that using the VR model potential giving marginally better results. (C) 2002 Elsevier Science B.V. All rights reserved.
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页码：438 / 442
页数：5
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