Morse stretch potential charge equilibrium force field for ceramics: Application to the quartz-stishovite phase transition and to silica glass

Physical Review Letters

Volumn 82, Issue 8, 1999, Pages 1708-1711

  Demiralp, Ersan ^a   Çagin, Tahir ^a   Goddard, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CERAMIC MATERIALS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; ELECTROSTATICS; FUSED SILICA; IONIZATION; MINERALS; MOLECULAR DYNAMICS; PRESSURE EFFECTS; QUARTZ;

CHARGE EQUILIBRATION METHOD; MORSE STRETCH POTENTIAL CHARGE EQUILIBRIUM FORCE FIELD; STISHOVITE;

PHASE TRANSITIONS;

EID: 0033593752     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.82.1708     Document Type: Article

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