Amorphous silica from the Rigid Unit Mode approach

Citation
Mt. Dove et al., Amorphous silica from the Rigid Unit Mode approach, MINERAL MAG, 64(3), 2000, pp. 377-388
Citations number
48
Categorie Soggetti
Earth Sciences
Journal title
MINERALOGICAL MAGAZINE
ISSN journal
0026461X → ACNP
Volume
64
Issue
3
Year of publication
2000
Pages
377 - 388
Database
ISI
SICI code
0026-461X(200006)64:3<377:ASFTRU>2.0.ZU;2-9
Abstract
We apply the Rigid Unit Mode model, which was initially developed for cryst alline silicates, to the study of the flexibility of silica glass. Using a density-of-states approach we show that silica glass has the same flexibili ty against infinitesimal displacements of crystalline phases. Molecular dyn amics simulations also show that parts of the silica structure are able to undergo large spontaneous changes through reorientations of the SiO4 tetrah edra with no energy cost.