Literature DB >> 31579349

Thermodynamic assessment of the Co-Ta system.

Peisheng Wang1, Jörg Koßmann2, Ursula R Kattner3, Mauro Palumbo2, Thomas Hammerschmidt2, Gregory B Olson1.   

Abstract

The Co-Ta system has been reviewed and the thermodynamic description was re-assessed in the present work. DFT (density functional theory) calculations considering spin polarization were performed to obtain the energies for all end-member configurations of the C14, C15, C36 and μ phases for the evaluation of the Gibbs energies of these phases. The phase diagram calculated with the present description agrees well with the experimental and theoretical data. Considering the DFT results was essential for giving a better description of the μ phase at lower temperatures.

Entities:  

Keywords:  CALPHAD; Co-based superalloys; TCP phase; γ-γ’

Year:  2019        PMID: 31579349      PMCID: PMC6774204          DOI: 10.1016/j.calphad.2018.12.002

Source DB:  PubMed          Journal:  CALPHAD        ISSN: 0364-5916            Impact factor:   2.017


  6 in total

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Authors: 
Journal:  Phys Rev Lett       Date:  1996-10-28       Impact factor: 9.161

2.  Improved tetrahedron method for Brillouin-zone integrations.

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Journal:  Phys Rev B Condens Matter       Date:  1994-06-15

3.  Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium.

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Journal:  Phys Rev B Condens Matter       Date:  1994-05-15

4.  Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

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Journal:  Phys Rev B Condens Matter       Date:  1996-10-15

5.  Thermodynamic analysis of the topologically close packed σ phase in the Co-Cr system.

Authors:  Peisheng Wang; Matthew C Peters; Ursula R Kattner; Kamal Choudhary; Gregory B Olson
Journal:  Intermetallics (Barking)       Date:  2019       Impact factor: 3.758

6.  Cobalt-base high-temperature alloys.

Authors:  J Sato; T Omori; K Oikawa; I Ohnuma; R Kainuma; K Ishida
Journal:  Science       Date:  2006-04-07       Impact factor: 47.728

  6 in total

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