INTERATOMIC POTENTIALS FOR MICAS

被引：14
|
作者：
Collins, D. R. [1 ]
Catlow, C. R. A. [1 ]
机构：
[1] Keele Univ, Dept Chem, Keele ST5 5BG, Staffs, England
来源：
MOLECULAR SIMULATION | 1990年 / 4卷 / 05期
关键词：
Interatomic potential; energy minimisation; free energy minimisation; mica; muscovite;
D O I：
10.1080/08927029008022397
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：
We investigate the transferability of short range interatomic potentials and the applicability of the fully ionic model to the simulation of the layer structured mica, muscovite, using energy minimisation and free energy minimisation techniques.
引用
收藏
页码：341 / 346
页数：6
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