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

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 journal › Article › peer-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 language	English
Pages (from-to)	377-388
Number of pages	11
Journal	Mineralogical Magazine
Volume	64
Issue number	3
Publication status	Published - Jun 2000

Keywords

Amorphous silica
Rigid Unit Mode theory
Silica glass

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title = "Amorphous silica from the Rigid Unit Mode approach",

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 silica, Rigid Unit Mode theory, Silica glass",

author = "Dove, {M. T.} and Hammonds, {K. D.} and Harris, {M. J.} and V. Heine and Keen, {D. A.} and Pryde, {A. K A} and K. Trachenko and Warren, {M. C.}",

year = "2000",

month = jun,

language = "English",

volume = "64",

pages = "377--388",

journal = "Mineralogical Magazine",

issn = "0026-461X",

publisher = "Mineralogical Society of Great Britain and Ireland",

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TY - JOUR

T1 - Amorphous silica from the Rigid Unit Mode approach

AU - Dove, M. T.

AU - Hammonds, K. D.

AU - Harris, M. J.

AU - Heine, V.

AU - Keen, D. A.

AU - Pryde, A. K A

AU - Trachenko, K.

AU - Warren, M. C.

PY - 2000/6

Y1 - 2000/6

N2 - 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.

AB - 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.

KW - Amorphous silica

KW - Rigid Unit Mode theory

KW - Silica glass

M3 - Article

VL - 64

SP - 377

EP - 388

JO - Mineralogical Magazine

JF - Mineralogical Magazine

SN - 0026-461X

IS - 3

ER -

Amorphous silica from the Rigid Unit Mode approach

Abstract

Keywords

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