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Changes to Alkali Ion Content Adjacent to Crystal-Glass Interfaces

Published online by Cambridge University Press:  01 February 2011

Michael J. D. Rushton ,
Robin W. Grimes  and
Scott L. Owens
Michael J. D. Rushton
Affiliation:
Department of Materials, Imperial College London, London SW7 2AZ, UK
Robin W. Grimes
Affiliation:
Department of Materials, Imperial College London, London SW7 2AZ, UK
Scott L. Owens
Affiliation:
Nexia Solutions Ltd., Warrington, Cheshire WA3 6AS, UK
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Abstract

Atomic scale molecular dynamics simulations have been used to predict the location of glass modifying Na, Li and Mg species in a borosilicate Magnox type waste glass adjacent to interfaces with the (100) and (110) surfaces of MgO, CaO and SrO crystals. These simulations show a considerable increase in alkali and alkali earth concentration adjacent to specific interfaces. In particular, there are significant, systematic changes in Na, Li and Mg position and concentration as a function of both the crystal's terminating surface and composition.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1107: Scientific Basis for Nuclear Waste Management XXXI , 2008 , 207
Copyright
Copyright © Materials Research Society 2008

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