Ab-initio calculations of the hydrogen-uranium system: Surface phenomena, absorption, transport and trapping

Acta Materialia

Volumn 57, Issue 16, 2009, Pages 4707-4715

  Taylor, Christopher D ^a   Scott Lillard, R ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Density functional theory; Hydrides; Hydrogen absorption; Uranium

Indexed keywords

AB INITIO CALCULATIONS; ABSORPTION ENERGIES; BULK MODULUS; BULK TRANSPORT; CHEMICAL IMPURITIES; H ABSORPTION; HYDRIDING; HYDROGEN ABSORPTION; IMPURITY ATOMS; INTERSTITIAL SITES; LATTICE STRAIN; LOCAL SOFTENING; URANIUM SYSTEM;

ABSORPTION; HYDRIDES; HYDROGEN; IMPURITIES; SURFACE CHEMISTRY; TRANSURANIUM ELEMENTS; URANIUM;

DENSITY FUNCTIONAL THEORY;

EID: 68949144969     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2009.06.055     Document Type: Article

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