The predicted shapes of voids and Xe bubbles in UO2

Allbwn ymchwil: Cyfraniad at gyfnodolynErthygladolygiad gan gymheiriaid

Fersiynau electronig

Dangosydd eitem ddigidol (DOI)

  • C O T Galvin
    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.
  • Michael Rushton
  • M W D Cooper
    Los Alamos National Laboratory
  • P A Burr
    University of New South Wales, Australia
  • R W Grimes
    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.
Morphology is a fundamental attribute when investigating voids and bubbles in
. This study uses molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in
. The energies of the and surfaces have been calculated and used to predict the equilibrium void shape from Wulff construction. This equilibrium shape is compared to low energy faceted voids exhibiting different relative proportions of each family of terminating surfaces. It is found that the equilibrium Wulff shape does not represent the lowest energy morphology for nm void sizes at temperatures between 300 K and 1200 K. Furthermore, the lowest energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added, and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape
Iaith wreiddiolSaesneg
Rhif yr erthygl152622
CyfnodolynJournal of Nuclear Materials
Cyfrol543
Dyddiad ar-lein cynnar24 Hyd 2020
Dynodwyr Gwrthrych Digidol (DOIs)
StatwsCyhoeddwyd - 1 Ion 2021
Gweld graff cysylltiadau