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

Parfitt, David C.; Cooper, Michael William; Rushton, Michael J.D.; Christopoulos, S. R.; Fitzpatrick, M. E.; Chroneos, A.

doi:10.1039/C6RA14424A

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

Journal Article · Fri Jul 29 00:00:00 EDT 2016 · RSC Advances

DOI:https://doi.org/10.1039/C6RA14424A· OSTI ID:1304728

Parfitt, David C. ^[1]; Cooper, Michael William ^[2]; Rushton, Michael J.D. ^[3]; Christopoulos, S. R. ^[1]; Fitzpatrick, M. E. ^[1]; Chroneos, A. ^[1]

Coventry Univ. Conventry (United Kingdom)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Materials Science and Technology Division
Imperial College, London (United Kingdom). Centre for Nuclear Engineering (CNE) & Department of Materials

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.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1304728

Report Number(s):: LA-UR-16-23378

Journal Information:: RSC Advances, Vol. 6, Issue 78; ISSN 2046-2069 (Electronic)

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 13 works

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