Molecular dynamic simulation in titanium dioxide polymorphs: Rutile, brookite, and anatase

Journal of the American Ceramic Society

Volumn 79, Issue 4, 1996, Pages 1095-1099

  Kim, Dae Weon ^a   Enomoto, Naoya ^a   Nakagawa, Zenbe E ^a,b   Kawamura, Katsuyuki ^a  

^a TOKYO INSTITUTE OF TECHNOLOGY   (Japan)

^b AMERICAN CERAMIC SOCIETY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CRYSTAL STRUCTURE; HIGH PRESSURE EFFECTS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; THERMAL EFFECTS; THERMAL EXPANSION; VAN DER WAALS FORCES;

ANATASE; BROOKITE; ENERGY PARAMETERS; INTERATOMIC POTENTIAL FUNCTIONS; POLYMORPHS; QUANTUM CORRECTION; RUTILE;

TITANIUM DIOXIDE;

EID: 0030125802     PISSN: 00027820     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1151-2916.1996.tb08553.x     Document Type: Article

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