First-principles calculations and thermodynamic modeling of the AlPt binary system

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 35, Issue 1, 2011, Pages 20-29

  Kim, D E ^a   Manga, V R ^a   Prins, S N ^b   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b NATIONAL METROLOGY INSTITUTE OF SOUTH AFRICA   (South Africa)

Author keywords

AlPt system; CALPHAD; First principles calculations; Thermodynamic modeling

Indexed keywords

ALPT SYSTEM; BCC PHASIS; BINARY SYSTEMS; CALPHAD; CALPHAD METHOD; COMPOUND ENERGY FORMALISMS; ENDMEMBERS; ENTHALPY OF FORMATION; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES STUDY; INTERMETALLIC PHASIS; SOLUTION PHASIS; SPECIAL QUASIRANDOM STRUCTURES; STOICHIOMETRIC COMPOUND; SUB-LATTICES; THERMODYNAMIC DESCRIPTION; THERMODYNAMIC MODELING;

ALUMINUM; ENTHALPY; PHASE EQUILIBRIA; PLATINUM; SYSTEMS (METALLURGICAL); THERMODYNAMICS;

CALCULATIONS;

EID: 79251604236     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2010.10.008     Document Type: Article

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