Changes to alkali ion content adjacent to crystal-glass interfaces

Michael J. D. Rushton; Robin W. Grimes; Scott L. Owens

doi:10.1557/PROC-1107-207

Changes to alkali ion content adjacent to crystal-glass interfaces

Michael J. D. Rushton
, Robin W. Grimes
, Scott L. Owens

Grand Challenges in Ecosystem and the Environment Initiative, Imperial College London, Silwood Park Campus, Ascot, Berkshire SL5 7PY, UK [email protected].

Allbwn ymchwil: Pennod mewn Llyfr/Adroddiad/Trafodion Cynhadledd › Cyfraniad i Gynhadledd › adolygiad gan gymheiriaid

Crynodeb

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.

Iaith wreiddiol	Anadnabyddus
Teitl	Scientific Basis for Nuclear Waste Management XXXI
Golygyddion	WE Lee, JW Roberts, NC Hyatt, RW Grimes
Tudalennau	207+
Cyfrol	1107
Dynodwyr Gwrthrych Digidol (DOIs)	https://doi.org/10.1557/PROC-1107-207
Statws	Cyhoeddwyd - 2008
Cyhoeddwyd yn allanol	Ie

Cyfres gyhoeddiadau

Enw	Materials Research Society Symposium Proceedings

Mynediad at Ddogfen

10.1557/PROC-1107-207

Dyfynnu hyn

@inproceedings{314d48dab2464475b5165718e5844b03,

title = "Changes to alkali ion content adjacent to crystal-glass interfaces",

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.",

author = "Rushton, \{Michael J. D.\} and Grimes, \{Robin W.\} and Owens, \{Scott L.\}",

note = "31st Symposium on Scientific Basis for Nuclear Waste Management, Univ Sheffield, Immobilisat Sci Lab, Sheffield, ENGLAND, SEP 16-21, 2007",

year = "2008",

doi = "10.1557/PROC-1107-207",

language = "Anadnabyddus",

isbn = "978-1-60511-079-0",

volume = "1107",

series = "Materials Research Society Symposium Proceedings",

pages = "207+",

editor = "WE Lee and JW Roberts and NC Hyatt and RW Grimes",

booktitle = "Scientific Basis for Nuclear Waste Management XXXI",

}

Changes to alkali ion content adjacent to crystal-glass interfaces. / Rushton, Michael J. D.; Grimes, Robin W.; Owens, Scott L.
Scientific Basis for Nuclear Waste Management XXXI. gol. / WE Lee; JW Roberts; NC Hyatt; RW Grimes. Cyfrol 1107 2008. t. 207+ (Materials Research Society Symposium Proceedings).

Allbwn ymchwil: Pennod mewn Llyfr/Adroddiad/Trafodion Cynhadledd › Cyfraniad i Gynhadledd › adolygiad gan gymheiriaid

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

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