He migration and bubble formation in Ga stabilised delta-Pu
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 exp...
| Main Authors: | , , , |
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| Format: | Journal Article |
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Elsevier BV * North-Holland
2014
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| Online Access: | http://hdl.handle.net/20.500.11937/25676 |
| _version_ | 1848751774895177728 |
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| author | Robinson, Marc Kenny, S. Smith, R. Storr, M. |
| author_facet | Robinson, Marc Kenny, S. Smith, R. Storr, M. |
| author_sort | Robinson, Marc |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | 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. |
| first_indexed | 2025-11-14T07:58:05Z |
| format | Journal Article |
| id | curtin-20.500.11937-25676 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:58:05Z |
| publishDate | 2014 |
| publisher | Elsevier BV * North-Holland |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-256762017-09-13T15:16:05Z He migration and bubble formation in Ga stabilised delta-Pu Robinson, Marc Kenny, S. Smith, R. Storr, M. 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. 2014 Journal Article http://hdl.handle.net/20.500.11937/25676 10.1016/j.jnucmat.2013.10.017 Elsevier BV * North-Holland unknown |
| spellingShingle | Robinson, Marc Kenny, S. Smith, R. Storr, M. He migration and bubble formation in Ga stabilised delta-Pu |
| title | He migration and bubble formation in Ga stabilised delta-Pu |
| title_full | He migration and bubble formation in Ga stabilised delta-Pu |
| title_fullStr | He migration and bubble formation in Ga stabilised delta-Pu |
| title_full_unstemmed | He migration and bubble formation in Ga stabilised delta-Pu |
| title_short | He migration and bubble formation in Ga stabilised delta-Pu |
| title_sort | he migration and bubble formation in ga stabilised delta-pu |
| url | http://hdl.handle.net/20.500.11937/25676 |