Rosa, A L, El-Barbary, A A, Heggie, M I and Briddon, P R (2005) Structural and thermodynamic properties of water related defects in a-quartz. Physics and Chemistry of Minerals, 32 (5-6). pp. 323-331. ISSN 03421791
Full text not available from this repository.Abstract
We have investigated the atomic geometries and thermodynamic properties of water related defects in a-quartz using first-principles calculation. We confirm that the (OH)4 group is thermodynamically most stable and aggregates to form platelets in the form of microcracks with hydrolysed surfaces. We also examine other forms of defects which can be accessible out of equilibrium at high temperature. Finally, we discuss the consequences of our results for the hydrolytic weakening of a-quartz.
Item Type: | Article |
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Schools and Departments: | School of Life Sciences > Chemistry |
Depositing User: | Malcolm Heggie |
Date Deposited: | 06 Feb 2012 21:10 |
Last Modified: | 29 Mar 2012 09:00 |
URI: | http://sro.sussex.ac.uk/id/eprint/29915 |