Thermodynamic description of the Ge-Na and Ge-K systems using the CALPHAD approach supported by first-principles calculations

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 37, Issue , 2012, Pages 72-76

  Wang, Yaru ^a   Wang, Peisheng ^a   Zhao, Dongdong ^a   Hu, Biao ^a   Du, Yong ^a   Xu, Honghui ^a   Chang, Keke ^b  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

First principles calculations; Ge K; Ge Na; Thermodynamic modeling

Indexed keywords

CALPHAD APPROACH; CALPHAD METHOD; ENTHALPIES OF FORMATION; EXPERIMENTAL DATA; EXPERIMENTAL PHASE EQUILIBRIA; FIRST-PRINCIPLES CALCULATION; GE-K; GE-NA; GIBBS ENERGY FUNCTIONS; LIQUID PHASE; REDLICH-KISTER POLYNOMIALS; STOICHIOMETRIC COMPOUND; THERMODYNAMIC DESCRIPTION; THERMODYNAMIC MODELING; THERMODYNAMIC OPTIMIZATION; THERMODYNAMIC PARAMETER;

CALCULATIONS; ENTHALPY; SODIUM;

GERMANIUM;

EID: 84862820264     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2012.01.004     Document Type: Article

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