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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

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Abstract

A new approach for adjusting molecular dynamics results on UO2 thermal conductivity to include phonon-spin scattering has been used to improve calculations on UxPu1−xO2 and UxTh1−xO2. 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 UxTh1−xO2 than UxPu1−xO2. Minimum thermal conductivities are predicted at U0.97Pu0.03O2 and U0.58Th0.42O2, although the degradation in UxPu1−xO2 is negligible relative to pure UO2.

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Authors and Affiliations

  1. Materials Science and Technology Division, Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, NM, 87545, USA

    M. W. D. Cooper, C. R. Stanek, X. -Y. Liu & D. A. Andersson

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  1. M. W. D. Cooper
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  2. C. R. Stanek
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  3. X. -Y. Liu
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  4. D. A. Andersson
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Correspondence to M. W. D. Cooper.

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Cooper, M.W.D., Stanek, C.R., Liu, X.Y. et al. A comment on the thermal conductivity of (U,Pu)O2 and (U,Th)O2 by molecular dynamics with adjustment for phonon-spin scattering. MRS Advances 1, 2483–2487 (2016). https://doi.org/10.1557/adv.2016.519

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