Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels

David C. Parfitt, M. W. D. Cooper, M. J. D. Rushton, Stavros-Richard G. Christopoulos, Michael E. Fitzpatrick, Alexander Chroneos

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Mixed-oxide fuels containing uranium with thorium and/or plutonium may play an important part in future nuclear fuel cycles. There are, however, significantly less data available for these materials than conventional uranium dioxide fuel. In the present study, we employ molecular dynamics calculations to simulate the elastic properties and thermal expansivity of a range of mixed oxide compositions. These are then used to support equations of state and oxygen self-diffusion models to provide a self-consistent prediction of the behaviour of these mixed oxide fuels at arbitrary compositions.
Original languageEnglish
Pages (from-to)74018-74027
Number of pages10
JournalRSC Advances
Publication statusPublished - 29 Jul 2016


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