Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7959481 | Computational Materials Science | 2015 | 14 Pages |
Abstract
Results of molecular dynamics simulations for polymorphs of silica: quartz, cristobalite, coesite, and stishovite, are compared to the experimental values of the lattice constants, density, radial and bond-angle distribution functions, equations of state, and phase transitions using different potentials.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Benjamin J. Cowen, Mohamed S. El-Genk,