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Thermodynamic assessment of the Co-Ta system

dc.contributorCenter for Hierarchical Materials Design (CHiMaD), Northwestern University, 2205 Tech Drive, Evanston, IL 60208, United Statesen_US
dc.contributorInterdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, 44801 Bochum, Germanyen_US
dc.contributorMaterials Science and Engineering Division, National Institute of Standards and Technology, 100 Bureau Dr., MS 8555, Gaithersburg, MD 20899, United Statesen_US
dc.contributor.authorWang, Peisheng
dc.contributor.authorKoßmann, Jörg
dc.contributor.authorKattner, Ursula R
dc.contributor.authorPalumbo, Mauro
dc.contributor.authorHammerschmidt, Thomas
dc.contributor.authorOlson, Gregory B
dc.contributor.otherpeisheng.wang@outlook.comen_US
dc.date.accessioned2019-02-19T00:11:41Z
dc.date.available2019-02-19T00:11:41Z
dc.date.issued2018-12
dc.identifier.citationCalphad 64 (2019) 205–212en_US
dc.identifier.urihttp://hdl.handle.net/11256/984
dc.description.abstractThe 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.en_US
dc.description.sponsorshipFinancial assistance award 70NANB14H012 from U.S. Department of Commerce, National Institute of Standards and Technology and funding by the Deutsche Forschungsgemeinschaft (DFG) through projects C1 and C6 of the collaborative research centre SFB/TR 103.en_US
dc.description.urihttps://doi.org/10.1016/j.calphad.2018.12.002en_US
dc.relation.uri10.1016/j.calphad.2018.12.002en_US
dc.rightsAttribution 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by/3.0/us/*
dc.subjectCALPHADen_US
dc.subjectTCP phaseen_US
dc.subjectCo-Taen_US
dc.subjectγ/γ'en_US
dc.titleThermodynamic assessment of the Co-Ta systemen_US
dc.typeDataseten_US


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Attribution 3.0 United States
Except where otherwise noted, this item's license is described as Attribution 3.0 United States