First-principles calculation of L10 -disorder phase equilibria for Fe-Ni system

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 1, 2009, Pages 244-249

  Mohri, Tetsuo ^a   Chen, Ying ^b   Jufuku, Yu ^a  

^a HOKKAIDO UNIVERSITY   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Cluster Variation Method; Fe Ni phase diagram; Thermal vibration effects

Indexed keywords

ELECTRONIC STRUCTURE; NICKEL; PHASE DIAGRAMS; PHASE EQUILIBRIA; SUPERCONDUCTING TRANSITION TEMPERATURE;

CLUSTER VARIATION METHOD; DISORDERED PHASE; FE-NI PHASE DIAGRAM; FIRST-PRINCIPLES CALCULATIONS; HARMONIC APPROXIMATIONS; THERMAL SOFTENING; THERMAL VIBRATION EFFECTS; TOTAL ENERGY CALCULATIONS; TRANSITION TEMPERATURES;

PHASE STABILITY;

EID: 61549097842     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2008.09.005     Document Type: Article

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