Phase stability and thermodynamic modeling of the Re-Ti system supplemented by first-principles calculations

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 38, Issue , 2012, Pages 71-80

  Zacherl, Chelsey L ^a   Shang, Shun Li ^a   Saengdeejing, Arkapol ^a   Liu, Zi Kui ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Debye model; First principles calculations; Re Ti system; Special quasirandom structures; Thermodynamic modeling

Indexed keywords

DEBYE MODELS; FIRST-PRINCIPLES CALCULATION; RE-TI SYSTEM; SPECIAL QUASIRANDOM STRUCTURES; THERMODYNAMIC MODELING;

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENTHALPY; MIXING; PHASE DIAGRAMS; PHASE EQUILIBRIA; PHASE STABILITY; PHONONS; SOLID SOLUTIONS; UNCERTAINTY ANALYSIS;

CALCULATIONS;

EID: 84861922546     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2012.05.001     Document Type: Article

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