Using Visualisation Techniques and Molecular Dynamics to Study Atoms Diffusing in Glass

Flikkema, E.; Zhou, Z.; Greaves, G. N.

Using Visualisation Techniques and Molecular Dynamics to Study Atoms Diffusing in Glass

Files

047-048.pdf (653.18 KB)

Date

2011

Authors

Flikkema, E.
Zhou, Z.
Greaves, G. N.

Publisher

The Eurographics Association

Abstract

In this poster, virtual reality and visualisation techniques are used to interpret the output of Molecular Dynamics simulations. In particular, mixtures of sodium-disilicate and potassium-silicate are studied. In such systems, the silicon and oxygen atoms form a disordered network. The alkali atoms are relatively mobile and will diffuse through channels in the silica network. This behaviour is rationalised by considering the concept of accessible free volume .

        @inproceedings{:10.2312/EG2011/posters/047-048
,
booktitle = {Eurographics 2011 - Posters
},
editor = {R. Laramee and I. S. Lim
},
title = {{Using Visualisation Techniques and Molecular Dynamics to Study Atoms Diffusing in Glass
}},
author = {Flikkema, E. and 
Zhou, Z. and 
Greaves, G. N.
},
year = {2011
},
publisher = {The Eurographics Association
},
ISSN = {1017-4656
},
ISBN = {},
DOI = {/10.2312/EG2011/posters/047-048
}
}