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Calphad-type assessment of the FeNbNi ternary system

Mathon, Muriel and Connétable, Damien and Sundman, Bo and Lacaze, Jacques Calphad-type assessment of the FeNbNi ternary system. (2009) Calphad, 33 (1). 136-161. ISSN 0364-5916

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Official URL: http://dx.doi.org/10.1016/j.calphad.2008.10.005


This paper presents a Calphad-type thermodynamic database for the FeNbNi system. The stable phases in this ternary system are liquid, fcc_A1, bcc_A2, C14 Laves, D0a, D85 and L12_fcc but we took also into account the C15 Laves and the metastable D022 phase because of their engineering interest. Available optimizations of the unary and binary systems were selected from the literature with the constraint that the Gibbs energy descriptions must be compatible. The only amendment needed to the selected assessments concerned the parameters for the D85 in the FeNb system. In addition, ab-initio calculations have been performed using the VASP in order to help with estimating enthalpies of formation of some binary end members of the intermetallic compounds. The optimization of the FeNbNi ternary system was performed using mostly experimental data available in the literature.

Item Type:Article
Additional Information:Thanks to Elsevier editor. The definitive version is available at http://www.sciencedirect.com The original PDF of the article can be found at Calphad website : http://www.sciencedirect.com/science/journal/03645916
HAL Id:hal-00690488
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
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Deposited On:27 Apr 2010 09:16

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