Ab initio study of solution energy and diffusion of caesium in uranium dioxide

Journal of Nuclear Materials

Volumn 385, Issue 2, 2009, Pages 368-371

  Gupta, F ^a   Pasturel, A ^b   Brillant, G ^a  

^a INSTITUT DE RADIOPROTECTION ET DE SÛRETÉ NUCLÉAIRE IRSN   (France)

^b UNIVERSITÉ JOSEPH FOURIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ACTINIDES; ACTIVATION ENERGY; CESIUM; LITHIUM COMPOUNDS; NUCLEAR FUELS; PROBABILITY DENSITY FUNCTION; TRANSURANIUM ELEMENTS; URANIUM; URANIUM DIOXIDE; VACANCIES;

AB INITIO STUDIES; ARRHENIUS ACTIVATION ENERGIES; CORRELATION EFFECTS; DENSITY-FUNCTIONAL THEORIES; EXPERIMENTAL DATUM; EXPERIMENTAL VALUES; INTERSTITIALS; PROJECTOR AUGMENTED WAVES; PSEUDOPOTENTIALS; SCHOTTKY; SOLUTION ENERGIES; TRAP SITES; VIENNA AB-INITIO SIMULATION PACKAGES;

DENSITY FUNCTIONAL THEORY;

EID: 61849162825     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2008.12.009     Document Type: Article

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