Thermodynamic properties of ThxU1-xO 2 (0 < x < 1) based on quantum-mechanical calculations and Monte-Carlo simulations

Journal of Nuclear Materials

Volumn 412, Issue 1, 2011, Pages 13-21

  Shuller, Lindsay C ^a   Ewing, Rodney C ^a,b   Becker, Udo ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b The Department of Civil and Environmental Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC SCALE; BE-DIFFUSION; BINARY COMPOSITION; CATION ORDERING; CHEMICAL DURABILITY; CONFIGURATIONAL ENTROPY; DIRECT DISPOSAL; DISSOLUTION RATES; ENERGY GAIN; ENERGY LOSS; EXSOLUTION; INTERFACE ENERGY; IONIC RADIUS; KINETIC HINDRANCE; MISCIBILITY GAP; MIXED OXIDE; MONTE CARLO SIMULATION; ORDERED ARRANGEMENT; QUANTUM-MECHANICAL CALCULATION; ROOM TEMPERATURE; THERMAL EXPANSION COEFFICIENTS; THERMODYNAMIC INTEGRATION;

DENSITY FUNCTIONAL THEORY; DISSOLUTION; ENERGY DISSIPATION; ENTROPY; NUCLEAR ENERGY; PHASE DIAGRAMS; PHASE INTERFACES; PHASE SEPARATION; POSITIVE IONS; SOLID SOLUTIONS; SOLIDIFICATION; SOLUBILITY; THERMAL CONDUCTIVITY; THERMAL EXPANSION; THERMODYNAMICS;

TEMPERATURE;

EID: 79955474776     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2011.01.017     Document Type: Article

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