Molecular dynamics simulations of glasses

We present MD simulations of two glass-forming structures (Se and SiO2) at temperatures above and below the glass transition. In both structures we find the relaxations to be localized on a small number of atoms. However, both the number of atoms involved in jumps and the jump-length grow with tempe...

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Bibliographic Details
Published inJournal of non-crystalline solids Vol. 250-252; pp. 651 - 654
Main Authors Oligschleger, C., Schober, H.R.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.08.1999
Subjects
G205
G200
M291
R170
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Summary:We present MD simulations of two glass-forming structures (Se and SiO2) at temperatures above and below the glass transition. In both structures we find the relaxations to be localized on a small number of atoms. However, both the number of atoms involved in jumps and the jump-length grow with temperature. In Se the relaxing units form typically chain-like structures. In the simulations of SiO2-glasses we observe that the displacement of the oxygen is larger than the corresponding Si contribution. In these cases the relaxations occur predominantly at atoms which are topological defects (under- or rarely over-coordinated).
ISSN:0022-3093
1873-4812
DOI:10.1016/S0022-3093(99)00151-9