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Title: He migration and bubble formation in Ga stabilised delta-Pu
Authors: Robinson, Marc
Kenny, Steven D.
Smith, Roger
Storr, M.T.
Issue Date: 2014
Publisher: © The Authors. Published by Elsevier B.V.
Citation: ROBINSON, M. ... et al., 2014. He migration and bubble formation in Ga stabilised delta-Pu. Journal of Nuclear Materials, 444 (1-3), pp. 493 - 500.
Abstract: The migration and formation of He into bubbles in Ga stabilised δ-Pu has been investigated using molecular dynamics simulation. Formation energy calculations indicate that isolated He interstitial atoms are unfavourable and that it is preferential for He to reside as a substitutional atom at the expense of producing a Pu self-interstitial. Migration energy barrier calculations and on-the-fly kinetic Monte Carlo simulations support this result establishing that an interstitial He atom soon becomes substitutional, after which migration is unlikely unless assisted by local vacancies. He-vacancy cluster formation energies show that as the void size increases, a He:vacancy ratio up to 2:1 becomes energetically favourable over isolated He substitutional atoms and vacancies.
Description: This is an Open Access Article. It is published by Elsevier under the Creative Commons Attribution 3.0 Unported Licence (CC BY). Full details of this licence are available at: http://creativecommons.org/licenses/by/3.0/
Sponsor: This work was supported by the Engineering and Physical Sciences Research Council (EPSRC) and the AWE.
Version: Published
DOI: 10.1016/j.jnucmat.2013.10.017
URI: https://dspace.lboro.ac.uk/2134/16502
Publisher Link: http://dx.doi.org/10.1016/j.jnucmat.2013.10.017
ISSN: 0022-3115
Appears in Collections:Published Articles (Maths)

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