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

Research output: Contribution to journal › Article › peer-review

Standard Standard

Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. / Parfitt, D. C.; Cooper, M. W. D.; Rushton, M. J. D. et al.
In: RSC Advances, Vol. 6, No. 78, 29.07.2016, p. 74018-74027.

Research output: Contribution to journal › Article › peer-review

HarvardHarvard

Parfitt, DC, Cooper, MWD, Rushton, MJD, Christopoulos, S-RG, Fitzpatricka, ME & Chroneos, A 2016, 'Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels', RSC Advances, vol. 6, no. 78, pp. 74018-74027. https://doi.org/10.1039/c6ra14424a

APA

Parfitt, D. C., Cooper, M. W. D., Rushton, M. J. D., Christopoulos, S. .-R. G., Fitzpatricka, M. E., & Chroneos, A. (2016). Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. RSC Advances, 6(78), 74018-74027. https://doi.org/10.1039/c6ra14424a

CBE

Parfitt DC, Cooper MWD, Rushton MJD, Christopoulos S-RG, Fitzpatricka ME, Chroneos A. 2016. Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. RSC Advances. 6(78):74018-74027. https://doi.org/10.1039/c6ra14424a

MLA

Parfitt, D. C. et al. "Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels". RSC Advances. 2016, 6(78). 74018-74027. https://doi.org/10.1039/c6ra14424a

VancouverVancouver

Parfitt DC, Cooper MWD, Rushton MJD, Christopoulos SRG, Fitzpatricka ME, Chroneos A. Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. RSC Advances. 2016 Jul 29;6(78):74018-74027. doi: 10.1039/c6ra14424a

Author

Parfitt, D. C. ; Cooper, M. W. D. ; Rushton, M. J. D. et al. / Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels. In: RSC Advances. 2016 ; Vol. 6, No. 78. pp. 74018-74027.

RIS

TY - JOUR

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 -