Phonon spectrum, thermal expansion and heat capacity of UO 2 from first-principles

Journal of Nuclear Materials

Volumn 426, Issue 1-3, 2012, Pages 109-114

  Yun, Younsuk ^a,b   Legut, Dominik ^c,d   Oppeneer, Peter M ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b PAUL SCHERRER INSTITUTE   (Switzerland)

^c VSB TECHNICAL UNIVERSITY OF OSTRAVA   (Czech Republic)

^d UNIVERSITY OF LEOBEN   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; DIRECT METHOD; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; INFRARED ACTIVE MODES; MEASURED DATA; PHONON DENSITY OF STATE; PHONON DISPERSIONS; PHONON FREQUENCIES; PHONON SPECTRUM; PRESSURE DEPENDENCE; THERMAL EXPANSION COEFFICIENTS; TOTAL FREE ENERGY;

ACOUSTIC DISPERSION; CALCULATIONS; ELECTRONIC STRUCTURE; SPECIFIC HEAT;

PHONONS;

EID: 84859928500     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2012.03.017     Document Type: Article

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