Modelling the thermal conductivity of (UₓTh₁-ₓ)O₂ and (UₓPu₁-ₓ)O₂
File(s)
Accepted version
Author(s)
Cooper, MWD
Middleburgh, SC
Grimes, RW
Type
Journal Article
Abstract
The degradation of thermal conductivity due to the non-uniform cation lattice of (UₓTh₁-ₓ)O₂ and (UₓPu₁-ₓ)O₂ solid solutions has been investigated by molecular dynamics, using the non-equilibrium method, from 300 to 2000 K. Degradation of thermal conductivity is predicted in (UₓTh₁-ₓ)O₂ and (UₓPu₁-ₓ)O₂ as compositions deviate from the pure end members: UO₂, PuO₂ and ThO₂. The reduction in thermal conductivity is most apparent at low temperatures where phonon-defect scattering dominates over phonon–phonon interactions. The effect is greater for (UₓTh₁-ₓ)O₂ than for (UₓPu₁-ₓ)O₂ due to the greater mismatch in cation size and mass. Parameters for analytical expressions have been developed that describe the predicted thermal conductivities over the full temperature and compositional ranges. These expressions may be used in higher level fuel performance codes.
Date Issued
2015-07-15
Date Acceptance
2015-07-13
Citation
Journal of Nuclear Materials, 2015, 466, pp.29-35
ISSN
0022-3115
Publisher
Elsevier
Start Page
29
End Page
35
Journal / Book Title
Journal of Nuclear Materials
Volume
466
Copyright Statement
© 2015 Elsevier Ltd. All rights reserved. This manuscript is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License http://creativecommons.org/licenses/by-nc-nd/4.0/
Sponsor
Engineering & Physical Science Research Council (E
Identifier
http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000364883400004&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Grant Number
EP/I036400/1 RG62429 LBZF/093
Subjects
Science & Technology
Technology
Materials Science, Multidisciplinary
Nuclear Science & Technology
Materials Science
MOLECULAR-DYNAMICS SIMULATIONS
HIGH-TEMPERATURES
SOLID-SOLUTIONS
2000 K
LATTICE
UO2
IMPERFECTIONS
POTENTIALS
TRANSPORT
DEFECTS
Publication Status
Published