Realistic models of amorphous silica: A comparative study of different potentials
Authors:
- 22 August 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 68 (7) , 073203
Abstract
The creation of realistic models of amorphous silica has been studied using the Monte Carlo based method of Wooten, Winer, and Weaire, where the bond-topology is optimized with respect to an interatomic potential model. The commonly used Keating potentials are compared and their strengths and weaknesses are assessed. The mean oxygen bond-angle obtained using these potentials turned out to be too small. A modification of the potential parameters is shown to correct this feature and thus produce better results when used with the Wooten-Winer-Weaire method.Keywords
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