Solution-based thermodynamic modeling of the Ni-Ta and Ni-Mo-Ta systems using first-principle calculations

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 4, 2009, Pages 631-641

  Zhou, S H ^a,b   Wang, Y ^a   Chen, L Q ^a   Liu, Z K ^a   Napolitano, R E ^b,c  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b U S DEPARTMENT OF ENERGY   (United States)

^c Iowa State University   (United States)

Author keywords

Alloy thermodynamics; Calphad modeling; Ni based alloys; Phase diagrams

Indexed keywords

ALLOY THERMODYNAMICS; CALPHAD; ENTHALPIES OF FORMATION; EXPERIMENTAL DATA; FIRST PRINCIPLE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; INTERMETALLIC COMPOUNDS; ISOTHERMAL SECTIONS; LIQUIDUS PROJECTION; MODELING RESULTS; NI BASED ALLOY; NI-BASED ALLOYS; PARAMETER EVALUATION; RANDOM SOLUTION MODEL; SPECIAL QUASIRANDOM STRUCTURES; STOICHIOMETRIC COMPOUND; SUB-LATTICES; THERMODYNAMIC DESCRIPTION; THERMODYNAMIC MODEL; THERMODYNAMIC MODELING; VIENNA AB-INITIO SIMULATION PACKAGES;

CRYSTAL STRUCTURE; ENTHALPY; INTERMETALLICS; MOLYBDENUM; PHASE DIAGRAMS; PHASE EQUILIBRIA; TERNARY SYSTEMS; THERMODYNAMICS;

TANTALUM;

EID: 74249121474     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2009.06.006     Document Type: Article

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