Re-modeling of Laves phases in the Cr-Nb and Cr-Ta systems using first-principles results

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 1, 2009, Pages 179-186

  Pavlu J ^a,b   Vrest'al J ^a,b   Sob M ^a,b  

^a MASARYK UNIVERSITY   (Czech Republic)

^b INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

Author keywords

Ab initio calculations; Chromium Niobium system; Chromium Tantalum system; Laves phases; Phase diagrams

Indexed keywords

GRAPHIC METHODS; NIOBIUM; PHASE DIAGRAMS; SOLID STATE PHYSICS; TANTALUM; THERMAL CONDUCTIVITY; TRANSITION METALS;

AB INITIO CALCULATIONS; AB-INITIO; CALCULATED VALUES; CALCULATION OF PHASE DIAGRAMS; CALPHAD METHODS; EMPIRICAL APPROACHES; END-MEMBERS; FIRST-PRINCIPLES; GIBBS ENERGIES; LAVES PHASES; POLYTYPES; PSEUDOPOTENTIAL; RELATIVE STABILITIES; STRUCTURAL FORMS; STRUCTURAL PARAMETERS; TOTAL ENERGIES; TWO-SUBLATTICE MODELS;

CHROMIUM;

EID: 61549118459     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2008.04.006     Document Type: Article

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