Molecular dynamics study of cristobalite silica using a charge transfer three-body potential: Phase transformation and structural disorder

Journal of Chemical Physics

Volumn 118, Issue 3, 2003, Pages 1487-1498

  Huang, Liping ^a   Kieffer, John ^b  

^a University of Illinois at Urbana Champaign   (United States)

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTALLOGRAPHY; ELECTRONIC DENSITY OF STATES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PHASE TRANSITIONS; THERMAL EXPANSION; X RAY DIFFRACTION ANALYSIS;

CHARGE TRANSFER THREE BODY POTENTIAL; CRISTOBALITE SILICA; INTERATOMIC DISTANCE; STRUCTURAL DISORDER;

SILICA;

EID: 0037439712     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1529684     Document Type: Article

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