Amorphous silica from the Rigid Unit Mode approach

M. T. Dove, K. D. Hammonds, M. J. Harris, V. Heine, D. A. Keen, A. K A Pryde, K. Trachenko, M. C. Warren

    Research output: Contribution to journalArticlepeer-review

    Abstract

    We apply the Rigid Unit Mode model, which was initially developed for crystalline silicates, to the study of the flexibility of silica glass. Using a density-of-states approach we show that silica glass has the same flexibility against infinitesimal displacements of crystalline phases. Molecular dynamics simulations also show that parts of the silica structure are able to undergo large spontaneous changes through reorientations of the SiO4 tetrahedra with no energy cost.
    Original languageEnglish
    Pages (from-to)377-388
    Number of pages11
    JournalMineralogical Magazine
    Volume64
    Issue number3
    Publication statusPublished - Jun 2000

    Keywords

    • Amorphous silica
    • Rigid Unit Mode theory
    • Silica glass

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