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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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References

1 Ojovan, M. I. and Lee, W. E., An Introduction to Nuclear Waste Immobilisation. Amsterdam: Elsevier, 2005.Google Scholar
2 Rushton, M. J. D., Grimes, R. W. and Owens, S. L., submitted to J. Am. Ceram. Soc. Google Scholar
3 Rushton, M. J. D. PhD. Thesis, University of London, 2006.Google Scholar
4 Abraitis, P. K., Livens, F. R., Monteith, J. E., Small, J. S., Trivedi, D. P., Vaughan, D. J., and Wogelius, R. A., Appl. Geochem. 15, 1399 (2000).Google Scholar
5 Accelrys DISCOVER Molecular Simulation Program v2002.1. Accelrys, 2002.Google Scholar
6 Hoover, W. G., Phys. Rev. A, 31, 1695 (1985).Google Scholar
7 Abbas, A., Delaye, J. M., Ghaleb, D., and Calas, G., J. Non-Cryst. Sol. 315, 187 (2003).Google Scholar
8 Cormack, A. N., Du, J., and Zeitler, T. R., Phys. Chem. Chem. Phys. 4, 3193 (2002).Google Scholar
9 Shannon, R. D., Acta Crystallogr. A32, 751 (1976).Google Scholar