Energy control of a molecular dynamics cell for the promotion of crystal phase transitions

Molecular Physics

Volumn 100, Issue 24, 2002, Pages 3915-3919

  Yonetani, Yoshiteru ^a   Yokoi, Kohei ^b  

^a NARA WOMEN'S UNIVERSITY   (Japan)

^b KEIO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BENZENE; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL LATTICES; DEFORMATION; INTEGRATION; KINETIC ENERGY; MOLECULES; PHASE TRANSITIONS; TEMPERATURE CONTROL;

BENZENE CRYSTAL; CRYSTAL PHASE TRANSITION; MOLECULAR DYNAMICS CELL; PARRINELLO-RAHMAN CONSTANT-PRESSURE METHOD;

MOLECULAR DYNAMICS;

EID: 0037147478     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/0026897021000021813     Document Type: Article

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