An efficient cluster expansion method for binary solid solutions: Application to the halite-silvite, NaCl-KCl, system

Reviews in Mineralogy and Geochemistry

Volumn 71, Issue , 2010, Pages 413-436

  Vinograd, Victor ^a   Winkler, Björn ^a  

^a GOETHE UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL STRESS; CLUSTER EXPANSION; CLUSTER EXPANSION METHOD; COUPLED SUBSTITUTION; DETERMINISTIC ALGORITHMS; DOUBLE-DEFECT METHODS; EFFECTIVE INTERACTIONS; ENDMEMBERS; ENTHALPY OF MIXING; EXCESS ENERGY; EXCESS ENTHALPIES; EXPANSION METHODS; GEOSCIENCES; HARMONIC APPROXIMATION; HOMOGENEOUS DEFORMATION; INTRACRYSTALLINE REACTION; LEAST SQUARES METHODS; LOCAL RELAXATION; MANY-BODY INTERACTIONS; MIXING ENTHALPY; MONTE CARLO SIMULATION; MULTICOMPONENT SOLUTIONS; PAIRWISE DISTANCES; PAIRWISE INTERACTION; PHASE RELATION; SOLUTION THEORY; STATIC ENERGY; SUPER CELL; TEMPERATURE DEPENDENT; TEMPERATURE-COMPOSITION; THERMODYNAMIC EFFECT; VIBRATIONAL COMPONENTS; VIBRATIONAL ENTROPY; VIRTUAL CRYSTAL APPROXIMATION;

COMPUTER SIMULATION; ENTHALPY; EXPANSION; FREE ENERGY; LEAST SQUARES APPROXIMATIONS; MIXING; SODIUM CHLORIDE; SOLID SOLUTIONS; SOLIDIFICATION; TEMPERATURE;

MONTE CARLO METHODS;

EID: 77954762728     PISSN: 15296466     EISSN: None     Source Type: Book Series    
DOI: 10.2138/rmg.2010.71.19     Document Type: Article

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