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Mineralogical Magazine; June 2000; v. 64; no. 3; p. 377-388
© 2000 Mineralogical Society of Great Britain and Ireland
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Amorphous silica from the Rigid Unit Mode approach

M. T. Dove*,1, K. D. Hammonds1, M. J. Harris2, V. Heine3, D. A. Keen2, A. K. A. Pryde1, K. Trachenko1 and M. C. Warren1

1 Mineral Physics group, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
2 ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OX11 0QX, UK
3 Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge, CB3 0HE, UK

* E-mail: martin{at}esc.cam.ac.uk

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.

KEYWORDS: amorphous silica, Rigid Unit Mode theory, silica glass




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