He migration and bubble formation in Ga stabilised delta-Pu
dc.contributor.author | Robinson, Marc | |
dc.contributor.author | Kenny, S. | |
dc.contributor.author | Smith, R. | |
dc.contributor.author | Storr, M. | |
dc.date.accessioned | 2017-01-30T12:49:39Z | |
dc.date.available | 2017-01-30T12:49:39Z | |
dc.date.created | 2015-05-05T20:00:37Z | |
dc.date.issued | 2014 | |
dc.identifier.citation | Robinson, M. and Kenny, S. and Smith, R. and Storr, M. 2014. He migration and bubble formation in Ga stabilised delta-Pu. Journal of Nuclear Materials. 444 (1-3): pp. 493-500. | |
dc.identifier.uri | http://hdl.handle.net/20.500.11937/25676 | |
dc.identifier.doi | 10.1016/j.jnucmat.2013.10.017 | |
dc.description.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. | |
dc.publisher | Elsevier BV * North-Holland | |
dc.title | He migration and bubble formation in Ga stabilised delta-Pu | |
dc.type | Journal Article | |
dcterms.source.volume | 444 | |
dcterms.source.number | 1-3 | |
dcterms.source.startPage | 493 | |
dcterms.source.endPage | 500 | |
dcterms.source.issn | 0022-3115 | |
dcterms.source.title | Journal of Nuclear Materials | |
curtin.accessStatus | Open access via publisher |