Amorphous silica from the Rigid Unit Mode approach

被引:21
作者
Dove, MT
Hammonds, KD
Harris, MJ
Heine, V
Keen, DA
Pryde, AKA
Trachenko, K
Warren, MC
机构
[1] Univ Cambridge, Dept Earth Sci, Mineral Phys Grp, Cambridge CB2 3EQ, England
[2] Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England
[3] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England
关键词
amorphous silica; Rigid Unit Mode theory; silica glass;
D O I
10.1180/002646100549454
中图分类号
P57 [矿物学];
学科分类号
070901 ;
摘要
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.
引用
收藏
页码:377 / 388
页数:12
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