Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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Yn: RSC Advances, Cyfrol 6, Rhif 78, 29.07.2016, t. 74018-74027.
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
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T1 - Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels
AU - Parfitt, D. C.
AU - Cooper, M. W. D.
AU - Rushton, M. J. D.
AU - Christopoulos, S. -R. G.
AU - Fitzpatricka, M. E.
AU - Chroneos, A.
PY - 2016/7/29
Y1 - 2016/7/29
N2 - 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.
AB - 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.
U2 - 10.1039/c6ra14424a
DO - 10.1039/c6ra14424a
M3 - Erthygl
VL - 6
SP - 74018
EP - 74027
JO - RSC Advances
JF - RSC Advances
SN - 2046-2069
IS - 78
ER -