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He migration and bubble formation in Ga stabilised delta-Pu
journal contribution
posted on 2014-12-17, 14:04 authored by Marc Robinson, Steven KennySteven Kenny, Roger Smith, M.T. StorrThe 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.
Funding
This work was supported by the Engineering and Physical Sciences Research Council (EPSRC) and the AWE.
History
School
- Science
Department
- Mathematical Sciences
Published in
JOURNAL OF NUCLEAR MATERIALSVolume
444Issue
1-3Pages
493 - 500 (8)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.Publisher
© The Authors. Published by Elsevier B.V.Version
- VoR (Version of Record)
Publisher statement
This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/Publication date
2014Notes
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/ISSN
0022-3115Publisher version
Language
- en