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 language | Unknown |
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| Title of host publication | Scientific Basis for Nuclear Waste Management XXXI |
| Editors | WE Lee, JW Roberts, NC Hyatt, RW Grimes |
| Pages | 207+ |
| Volume | 1107 |
| DOIs | |
| Publication status | Published - 2008 |
| Externally published | Yes |
Publication series
| Name | Materials Research Society Symposium Proceedings |
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