High-pressure, high-temperature phase diagram of calcium fluoride from classical atomistic simulations

Journal of Physical Chemistry C

Volumn 117, Issue 21, 2013, Pages 11292-11301

  Cazorla, Claudio ^a   Errandonea, Daniel ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FLUORINE COMPOUNDS; FLUORSPAR; MOLECULAR DYNAMICS; PHASE DIAGRAMS; VAN DER WAALS FORCES;

ATOMISTIC SIMULATIONS; CLASSICAL MOLECULAR DYNAMICS; CO-EXISTING STATE; HIGH PRESSURE; HIGH TEMPERATURE PHASE; INTERATOMIC POTENTIAL; PARAMETRIZATIONS; VAN DER WAALS;

CALCIUM FLUORIDE;

EID: 84878374159     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp401577j     Document Type: Article

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