POTENTIALS FOR MOLECULAR DYNAMICS SIMULATION OF SILICATE GLASSES

被引：10
|
作者：
Vessal, B. [1 ,2 ]
Amini, M. [3 ]
Leslie, M. [4 ]
Catlow, C. R. A. [5 ]
机构：
[1] Keele Univ, Dept Chem, Keele ST5 5BG, Staffs, England
[2] Rutherford Appleton Lab, Atlas Ctr, Didcot OX11 0QX, Oxon, England
[3] Isfahan Univ Technol, Dept Phys, Esfahan, Iran
[4] SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England
[5] Royal Inst Great Britain, London W1X 4BS, England
来源：
MOLECULAR SIMULATION | 1990年 / 5卷 / 1-2期
关键词：
Silica; ab initio potential; high pressure;
D O I：
10.1080/08927029008022407
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new potential model has been developed for the simulation of amorphous silica based on the ab initio potential model of Pyper. This model promises to be of value in the simulation of silica at high pressures.
引用
收藏
页码：1 / 7
页数：7
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