Real-space rigid-unit-mode analysis of dynamic disorder in quartz, cristobalite and amorphous silica

S.A. Wells, M.T. Dove, M.G. Tucker, K. Trachenko

Research output: Contribution to journalArticle

43 Citations (Scopus)

Abstract

We use a recently developed tool based on geometric algebra to analyse the phase transition in quartz, the nature of the disordered high-temperature phase of cristobalite and the dynamics of silica glass. The approach is to analyse configurations generated by the reverse Monte Carlo or molecular dynamics simulations in terms of rigid-unit-mode (RUM) motions, but concentrating on quantifying the real-space distortions rather than performing a reciprocal-space analysis in terms of RUM phonons. One of the important results is a measure of the extent to which the amplitudes of motion are directly attributable to RUMs, and how the RUM fraction changes as a result of a phase transition.
Original languageEnglish
Pages (from-to)4645-4657
Number of pages13
JournalJournal of Physics-Condensed Matter
Volume14
Issue number18
DOIs
Publication statusPublished - 13 May 2002

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