Changes to alkali ion content adjacent to crystal-glass interfaces

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DOI

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
Pages207+
Volume1107
DOIs
Publication statusPublished - 2008
Externally publishedYes

Publication series

NameMaterials Research Society Symposium Proceedings
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