Pressure-induced structural change of liquid carbon: Ab initio molecular-dynamics simulations

Journal of Non-Crystalline Solids

Volumn 353, Issue 32-40, 2007, Pages 3519-3522

  Harada, Akiko ^a   Shimojo, Fuyuki ^b   Hoshino, Kozo ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

Ab initio; Density functional theory; Liquid alloys and liquid metals; Modeling and simulation; Molecular dynamics; Short range order; Structure

Indexed keywords

DENSITY FUNCTIONAL THEORY; HIGH PRESSURE EFFECTS; MOLECULAR DYNAMICS; MOLECULAR MODELING;

COORDINATION NUMBER; LIQUID ALLOYS; STRUCTURAL CHANGE;

LIQUID METALS;

EID: 34548548727     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2007.04.033     Document Type: Article

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