Issue 78, 2016

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

Abstract

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.

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

Supplementary files

Article information

Article type
Paper
Submitted
03 jún. 2016
Accepted
28 júl. 2016
First published
29 júl. 2016

RSC Adv., 2016,6, 74018-74027

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

D. C. Parfitt, M. W. D. Cooper, M. J. D. Rushton, S.-R. G. Christopoulos, M. E. Fitzpatrick and A. Chroneos, RSC Adv., 2016, 6, 74018 DOI: 10.1039/C6RA14424A

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