Changes to alkali ion content adjacent to crystal-glass interfaces

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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.
Original languageUnknown
Title of host publicationScientific Basis for Nuclear Waste Management XXXI
EditorsWE Lee, JW Roberts, NC Hyatt, RW Grimes
Publication statusPublished - 2008
Externally publishedYes

Publication series

NameMaterials Research Society Symposium Proceedings
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