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Amorphous silica from the Rigid Unit Mode approach

Published online by Cambridge University Press:  05 July 2018

M. T. Dove ,
K. D. Hammonds ,
M. J. Harris ,
V. Heine ,
D. A. Keen ,
A. K. A. Pryde ,
K. Trachenko  and
M. C. Warren
M. T. Dove*
Affiliation:
Mineral Physics group, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
K. D. Hammonds
Affiliation:
Mineral Physics group, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
M. J. Harris
Affiliation:
ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OX11 0QX, UK
V. Heine
Affiliation:
Cavendish Laboratory, University of Cambridge, Madingley Road, Cambridge, CB3 0HE, UK
D. A. Keen
Affiliation:
ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OX11 0QX, UK
A. K. A. Pryde
Affiliation:
Mineral Physics group, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
K. Trachenko
Affiliation:
Mineral Physics group, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
M. C. Warren
Affiliation:
Mineral Physics group, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK
*
* E-mail: [email protected]
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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.

Keywords

amorphous silicaRigid Unit Mode theorysilica glass
Type
Research Article
Information
Mineralogical Magazine , Volume 64 , Issue 3 , June 2000 , pp. 377 - 388
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2000

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