Ab initio melting curve of molybdenum by the phase coexistence method

Journal of Chemical Physics

Volumn 126, Issue 19, 2007, Pages

  Cazorla, C ^b   Gillan, M J ^b   Taioli, S ^a   Alfe D ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; COORDINATION REACTIONS; DATA ACQUISITION; DENSITY FUNCTIONAL THEORY; ELECTRONIC DENSITY OF STATES; MELTING; PHASE COMPOSITION;

ELECTRON REDISTRIBUTION; PHASE COEXISTENCE METHOD; PROJECTOR AUGMENTED WAVE (PAW) IMPLEMENTATION; SHOCK DATA;

MOLYBDENUM;

EID: 34249094211     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2735324     Document Type: Article

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