Ab initio molecular dynamics simulations of local structure of supercooled Ni

Journal of Chemical Physics

Volumn 120, Issue 13, 2004, Pages 6124-6127

  Jakse, Noël ^a,b   Pasturel, Alain ^b  

^a UNIVERSITÉ DE LORRAINE   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BONDING; COMPUTER SIMULATION; COORDINATION REACTIONS; FUNCTIONS; LIQUID METALS; MELTING; MICROSTRUCTURE; MOLECULAR DYNAMICS; OSCILLATIONS; PROBABILITY DENSITY FUNCTION; SUPERCOOLING;

DENSITY FUNCTIONAL THEORY (DFT); GENERALIZED GRADIENT APPROXIMATION (GGA); SHORT-RANGE ORDER (SRO);

NICKEL;

EID: 1942521768     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1651054     Document Type: Article

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