Structural, electronic, mechanical, and thermodynamic properties of UN 2: Systematic density functional calculations

Journal of Nuclear Materials

Volumn 410, Issue 1-3, 2011, Pages 46-51

  Lu, Yong ^a,b   Wang, Bao Tian ^b,c   Li, Rong Wu ^a   Shi, Hong Liang ^b   Zhang, Ping ^b,d  

^a BEIJING NORMAL UNIVERSITY   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^c SHANXI UNIVERSITY   (China)

^d PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPARATIVE STUDIES; DENSITY OF STATE; DENSITY-FUNCTIONAL CALCULATIONS; EFFECTIVE CHARGE; F-ELECTRONS; GENERALIZED GRADIENT APPROXIMATIONS; HUBBARD; LATTICE PARAMETERS; PHONON DISPERSIONS;

ACOUSTIC DISPERSION; DISPERSIONS; LATTICE VIBRATIONS; MECHANICAL PROPERTIES; PHONONS; STRAIN MEASUREMENT; THERMAL EXPANSION; VIBRATIONS (MECHANICAL);

DENSITY FUNCTIONAL THEORY;

EID: 79951813766     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2010.12.308     Document Type: Article

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