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

M. W. D. Cooper, C. R. Stanek, X.-Y. Liu, D. A. Andersson
2016 MRS Advances  
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
more » ... radation in U x Pu1−x O2 is negligible relative to pure UO2.
doi:10.1557/adv.2016.519 fatcat:fiz4vgspjjfflcn6bor6gssk3y