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This content will become publicly available on July 15, 2017

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

In this study, a new approach for adjusting molecular dynamics results on UO2 thermal conductivity to include phonon-spin scattering has been used to improve calculations on Ux Pu1–x O2 and UxTh1xO2. 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.
 [1] ;  [1] ;  [1] ;  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 2059-8521
Grant/Contract Number:
Accepted Manuscript
Journal Name:
MRS Advances
Additional Journal Information:
Journal Name: MRS Advances; Journal ID: ISSN 2059-8521
Materials Research Society (MRS)
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE Office of Nuclear Energy (NE)
Country of Publication:
United States
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; nuclear materials; thermal conductivity; simulation