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Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses. / Stechert, T. R.; Rushton, M. J. D.; Grimes, R. W.

Yn: Journal of American Ceramic Society, Cyfrol 96, Rhif 5, 01.05.2013, t. 1450-1455.

Allbwn ymchwil: Cyfraniad at gyfnodolynErthygl

HarvardHarvard

Stechert, TR, Rushton, MJD & Grimes, RW 2013, 'Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses', Journal of American Ceramic Society, cyfrol. 96, rhif 5, tt. 1450-1455. https://doi.org/10.1111/jace.12308

APA

Stechert, T. R., Rushton, M. J. D., & Grimes, R. W. (2013). Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses. Journal of American Ceramic Society, 96(5), 1450-1455. https://doi.org/10.1111/jace.12308

CBE

Stechert TR, Rushton MJD, Grimes RW. 2013. Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses. Journal of American Ceramic Society. 96(5):1450-1455. https://doi.org/10.1111/jace.12308

MLA

Stechert, T. R., M. J. D. Rushton a R. W. Grimes. "Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses". Journal of American Ceramic Society. 2013, 96(5). 1450-1455. https://doi.org/10.1111/jace.12308

VancouverVancouver

Stechert TR, Rushton MJD, Grimes RW. Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses. Journal of American Ceramic Society. 2013 May 1;96(5):1450-1455. https://doi.org/10.1111/jace.12308

Author

Stechert, T. R. ; Rushton, M. J. D. ; Grimes, R. W. / Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses. Yn: Journal of American Ceramic Society. 2013 ; Cyfrol 96, Rhif 5. tt. 1450-1455.

RIS

TY - JOUR

T1 - Predicted Mechanism for Enhanced Durability of Zinc Containing Silicate Glasses

AU - Stechert, T. R.

AU - Rushton, M. J. D.

AU - Grimes, R. W.

PY - 2013/5/1

Y1 - 2013/5/1

N2 - Experimental studies have reported that zinc oxide improves the durability of glasses used for nuclear waste immobilization. Here, molecular dynamics simulations are used to predict the atomic structures of sodium silicate glass with and without zinc. A simulated melt-quench procedure is used to generate glass structures. Pair distribution functions, ring size distributions, and alkali clustering are then examined. This allows insights into the structural role of zinc oxide within the glass and helps distinguish between its reported functions as a network former and a network modifier. Changes in the sodium ion distribution and clustering behavior within the glass are observed, due to zinc oxide addition. This affects the local and intermediate-range structure of the glass and provides a possible explanation for enhanced durability.

AB - Experimental studies have reported that zinc oxide improves the durability of glasses used for nuclear waste immobilization. Here, molecular dynamics simulations are used to predict the atomic structures of sodium silicate glass with and without zinc. A simulated melt-quench procedure is used to generate glass structures. Pair distribution functions, ring size distributions, and alkali clustering are then examined. This allows insights into the structural role of zinc oxide within the glass and helps distinguish between its reported functions as a network former and a network modifier. Changes in the sodium ion distribution and clustering behavior within the glass are observed, due to zinc oxide addition. This affects the local and intermediate-range structure of the glass and provides a possible explanation for enhanced durability.

U2 - 10.1111/jace.12308

DO - 10.1111/jace.12308

M3 - Erthygl

VL - 96

SP - 1450

EP - 1455

JO - Journal of American Ceramic Society

JF - Journal of American Ceramic Society

SN - 0002-7820

IS - 5

ER -