Thermodynamic assessment of the Co-Ta system.
CALPHAD
Co-based superalloys
TCP phase
γ-γ’
Journal
CALPHAD ; computer coupling of phase diagrams and thermochemistry
ISSN: 0364-5916
Titre abrégé: CALPHAD
Pays: Netherlands
ID NLM: 101634445
Informations de publication
Date de publication:
2019
2019
Historique:
entrez:
4
10
2019
pubmed:
4
10
2019
medline:
4
10
2019
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 31579349
doi: 10.1016/j.calphad.2018.12.002
pmc: PMC6774204
mid: NIHMS1526039
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : Intramural NIST DOC
ID : 9999-NIST
Pays : United States
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