Phonon lifetime investigation of anharmonicity and thermal conductivity of UO2 by neutron scattering and theory

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DOIResolve DOI: http://doi.org/10.1103/PhysRevLett.110.157401
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TypeArticle
Journal titlePhysical Review Letters
ISSN0031-9007
Volume110
Issue15
Article number157401
SubjectAnharmonicities; First-principles simulations; Inelastic neutrons; Longitudinal optics; Phonon lifetimes; Phonon physics; Quantitative correspondence; Phonons; Thermal conductivity
AbstractInelastic neutron scattering measurements of individual phonon lifetimes and dispersion at 295 and 1200 K have been used to probe anharmonicity and thermal conductivity in UO2. They show that longitudinal optic phonon modes carry the largest amount of heat, in contrast to past simulations and that the total conductivity demonstrates a quantitative correspondence between microscopic and macroscopic phonon physics. We have further performed first-principles simulations for UO2 showing semiquantitative agreement with phonon lifetimes at 295 K, but larger anharmonicity than measured at 1200 K. © 2013 American Physical Society.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC)
Peer reviewedYes
NPARC number21270584
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Record identifier3c729046-fc3a-40d5-81bb-7f9e664ab797
Record created2014-02-17
Record modified2016-05-09
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