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Title: A comment on the thermal conductivity of (U,Pu)O 2 and (U,Th)O 2 by molecular dynamics with adjustment for phonon-spin scattering

Abstract

In this study, a new approach for adjusting molecular dynamics results on UO 2 thermal conductivity to include phonon-spin scattering has been used to improve calculations on U x Pu 1–x O 2 and U xTh 1xO 2. 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 xTh 1–xO 2 than U xPu 1-xO 2. Minimum thermal conductivities are predicted at U 0.97Pu 0.03O 2 and U 0.58Th 0.42O 2, although the degradation in U xPu 1–xO 2 is negligible relative to pure UO 2.

Authors:
 [1];  [1];  [1];  [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1296685
Report Number(s):
LA-UR-16-21839
Journal ID: ISSN 2059-8521
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
MRS Advances
Additional Journal Information:
Journal Name: MRS Advances; Journal ID: ISSN 2059-8521
Publisher:
Materials Research Society (MRS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; nuclear materials; thermal conductivity; simulation

Citation Formats

Cooper, Michael William D., Liu, Xiang -Yang, Stanek, Christopher Richard, and Andersson, David Anders. A comment on the thermal conductivity of (U,Pu)O2 and (U,Th)O2 by molecular dynamics with adjustment for phonon-spin scattering. United States: N. p., 2016. Web. doi:10.1557/adv.2016.519.
Cooper, Michael William D., Liu, Xiang -Yang, Stanek, Christopher Richard, & Andersson, David Anders. A comment on the thermal conductivity of (U,Pu)O2 and (U,Th)O2 by molecular dynamics with adjustment for phonon-spin scattering. United States. doi:10.1557/adv.2016.519.
Cooper, Michael William D., Liu, Xiang -Yang, Stanek, Christopher Richard, and Andersson, David Anders. Fri . "A comment on the thermal conductivity of (U,Pu)O2 and (U,Th)O2 by molecular dynamics with adjustment for phonon-spin scattering". United States. doi:10.1557/adv.2016.519. https://www.osti.gov/servlets/purl/1296685.
@article{osti_1296685,
title = {A comment on the thermal conductivity of (U,Pu)O2 and (U,Th)O2 by molecular dynamics with adjustment for phonon-spin scattering},
author = {Cooper, Michael William D. and Liu, Xiang -Yang and Stanek, Christopher Richard and Andersson, David Anders},
abstractNote = {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.},
doi = {10.1557/adv.2016.519},
journal = {MRS Advances},
issn = {2059-8521},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {7}
}

Journal Article:
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