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A comment on the thermal conductivity of (U,Pu)O2 and (U,Th)O2 by molecular dynamics with adjustment for phonon-spin scattering

Published online by Cambridge University Press:  15 July 2016

M. W. D. Cooper ,
C. R. Stanek ,
X.-Y. Liu  and
D. A. Andersson
M. W. D. Cooper*
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory P.O. Box 1663, Los Alamos, NM 87545, USA
C. R. Stanek
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory P.O. Box 1663, Los Alamos, NM 87545, USA
X.-Y. Liu
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory P.O. Box 1663, Los Alamos, NM 87545, USA
D. A. Andersson
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory P.O. Box 1663, Los Alamos, NM 87545, USA
*
*(Email: cooper_m@lanl.gov)

Abstract

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A new approach for adjusting molecular dynamics results on UO2 thermal conductivity to include phonon-spin scattering has been used to improve calculations on U x Pu1−x O2 and U x Th1−x O2. We demonstrate that by including spin scattering a strong asymmetry as a function of uranium actinide fraction, x, is obtained. Greater degradation is shown for U x Th1−x O2 than U x Pu1−x O2. Minimum thermal conductivities are predicted at U0.97Pu0.03O2 and U0.58Th0.42O2, although the degradation in U x Pu1−x O2 is negligible relative to pure UO2.

Keywords

nuclear materialsthermal conductivitysimulation
Type
Articles
Information
MRS Advances , Volume 1 , Issue 35: Materials Design , 2016 , pp. 2483 - 2487
Copyright
Copyright © Materials Research Society 2016 

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