First-principles-based phase diagrams and thermodynamic properties of TCP phases in Re-X systems (X = Ta, V, W)

Computational Materials Science

Volumn 81, Issue , 2014, Pages 433-445

  Palumbo, Mauro ^a   Fries, Suzana G ^a   Hammerschmidt, Thomas ^a   Abe, Taichi ^b   Crivello, Jean Claude ^c   Breidi, Abed Al Hasan ^c   Joubert, Jean Marc ^c   Drautz, Ralf ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^c CNRS Université Paris Est Créteil Val de Marne   (France)

Author keywords

First principles; Ni base superalloys; Phase diagrams; TCP phases

Indexed keywords

CALCULATION OF PHASE DIAGRAMS; EXCHANGE-CORRELATION FUNCTIONALS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; INDIVIDUAL CONFIGURATION; NI-BASE SUPERALLOYS; TCP PHASES; TOPOLOGICALLY CLOSE-PACKED PHASIS;

ENTROPY; NICKEL; PHASE DIAGRAMS; STABILITY; STATISTICS; TIME VARYING SYSTEMS; TRANSITION METAL ALLOYS;

CALCULATIONS;

EID: 84888299996     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.08.051     Document Type: Article

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