Constant pressure reactive molecular dynamics simulations of phase transitions under pressure: The graphite to diamond conversion revisited

European Physical Journal B

Volumn 39, Issue 1, 2004, Pages 41-47

  Zipoli, F ^a   Bernasconi, M ^a   Martonak R ^b,c  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b ETH ZURICH   (Switzerland)

^c SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTALLOGRAPHY; DIAMONDS; GRAPHITE; MOLECULAR DYNAMICS; PRESSURE EFFECTS; RESIDUAL STRESSES;

CRYSTALLOGRAPHIC ASPECTS OF PHASE TRANSFORMATIONS; PARRINELLO-RAHMAN (PR) TECHNIQUE; TIGHT BINDING (TB) TECHNIQUES;

PHASE TRANSITIONS;

EID: 3142678009     PISSN: 14346028     EISSN: None     Source Type: Journal    
DOI: 10.1140/epjb/e2004-00168-y     Document Type: Article

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