Fersiynau electronig

Dangosydd eitem ddigidol (DOI)

  • T. R. Stechert
  • M. J. D. Rushton
    Grand Challenges in Ecosystem and the Environment Initiative, Imperial College London, Silwood Park Campus, Ascot, Berkshire SL5 7PY, UK alexander.papadopulos@plants.ox.ac.uk.
  • R. W. Grimes
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.
Iaith wreiddiolAnadnabyddus
Tudalennau (o-i)1450-1455
Nifer y tudalennau6
CyfnodolynJournal of American Ceramic Society
Cyfrol96
Rhif y cyfnodolyn5
Dynodwyr Gwrthrych Digidol (DOIs)
StatwsCyhoeddwyd - 1 Mai 2013
Cyhoeddwyd yn allanolIe
Gweld graff cysylltiadau