First-principles calculations and thermodynamic modeling of the Re-Y system with extension to the Ni-Re-Y system

Intermetallics

Volumn 18, Issue 12, 2010, Pages 2412-2418

  Zacherl, C ^a   Saal, J ^a   Wang, Y ^a   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

B. Phase diagrams; B. Thermodynamic and thermochemical properties; E. Ab initio calculations; E. Phase diagram, prediction (including CALPHAD)

Indexed keywords

AB INITIO; B. PHASE DIAGRAMS; B. THERMODYNAMIC AND THERMOCHEMICAL PROPERTIES; BCC SOLID SOLUTION; BINARY SYSTEMS; CALCULATION OF PHASE DIAGRAM METHODS; E. PHASE DIAGRAM, PREDICTION (INCLUDING CALPHAD); ENTHALPY OF FORMATION; EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; HARMONIC APPROXIMATION; HEAT CAPACITIES; ISOTHERMAL SECTIONS; LIQUIDUS PROJECTION; MISCIBILITY GAP; SUPERCELL METHOD; THERMODYNAMIC DATABASE; THERMODYNAMIC DESCRIPTION; THERMODYNAMIC MODELING;

ENTHALPY; FORECASTING; PHASE DIAGRAMS; SYSTEMS (METALLURGICAL);

THERMODYNAMICS;

EID: 77957883390     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2010.08.032     Document Type: Article

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