Changes to alkali ion content adjacent to crystal-glass interfaces
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
Standard Standard
Scientific Basis for Nuclear Waste Management XXXI. ed. / WE Lee; JW Roberts; NC Hyatt; RW Grimes. Vol. 1107 2008. p. 207+ (Materials Research Society Symposium Proceedings).
Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review
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TY - GEN
T1 - Changes to alkali ion content adjacent to crystal-glass interfaces
AU - Rushton, Michael J. D.
AU - Grimes, Robin W.
AU - Owens, Scott L.
N1 - 31st Symposium on Scientific Basis for Nuclear Waste Management, Univ Sheffield, Immobilisat Sci Lab, Sheffield, ENGLAND, SEP 16-21, 2007
PY - 2008
Y1 - 2008
N2 - 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.
AB - 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.
U2 - 10.1557/PROC-1107-207
DO - 10.1557/PROC-1107-207
M3 - Cyfraniad i Gynhadledd
SN - 978-1-60511-079-0
VL - 1107
T3 - Materials Research Society Symposium Proceedings
SP - 207+
BT - Scientific Basis for Nuclear Waste Management XXXI
A2 - Lee, WE
A2 - Roberts, JW
A2 - Hyatt, NC
A2 - Grimes, RW
ER -