Thermodynamic modeling of Laves phases in the TaV system: Reassessment using first-principles results

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 35, Issue 1, 2011, Pages 103-108

  Pavlu J ^a,b   Vrest'al J ^a   Chen, X Q ^c   Rogl, P ^d  

^a MASARYK UNIVERSITY   (Czech Republic)

^b INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

^c INSTITUTE OF METAL RESEARCH   (China)

^d UNIVERSITY OF VIENNA   (Austria)

Author keywords

Ab initio calculations; Laves phase; TantalumVanadium system; Thermodynamic modeling

Indexed keywords

AB INITIO CALCULATIONS; C14 LAVES PHASE; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FITTING PARAMETERS; FITTING PROCEDURE; GIBBS ENERGY; HEAT CAPACITIES; HIGH TEMPERATURE; INTERMEDIATE TEMPERATURES; LAVES PHASE STRUCTURE; LAVES PHASIS; LAVES-PHASE; PERIODIC SYSTEM; STANDARD ELEMENTS; SUB-LATTICE MODEL; TANTALUMVANADIUM SYSTEM; TEMPERATURE DEPENDENT; THERMODYNAMIC DESCRIPTION; THERMODYNAMIC MODELING; TOTAL ENERGY;

CALCULATIONS; PHASE BOUNDARIES; SPECIFIC HEAT; TEMPERATURE; THERMODYNAMICS;

PHASE STABILITY;

EID: 79751528587     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2010.12.002     Document Type: Article

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