A New Theoretical Study of the Cr-Nb System

A new thermodynamic assessment of the binary Cr-Nb system was performed using the CALPHAD method based on a review of the available literature and ab initio calculations for the hypothetical end members of the C15 Laves phase. Recent experiments reported in the literature revealed that there is no C...

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Bibliographic Details
Published in:Journal of phase equilibria and diffusion 2014-08, Vol.35 (4), p.434-444
Main Authors: Schmetterer, Clemens, Khvan, Alexandra, Jacob, Aurélie, Hallstedt, Bengt, Markus, Torsten
Format: Article
Language:English
Subjects:
Binary systems (materials)
Ceramics
Chromium
Composites
Computer simulation
Crystallography and Scattering Methods
Diffraction
Engineering Thermodynamics
Glass
Heat and Mass Transfer
Mathematical analysis
Mathematical models
Metallic Materials
Natural Materials
Phase diagrams
Phase transformations
Physics
Physics and Astronomy
Thermodynamics
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Summary:A new thermodynamic assessment of the binary Cr-Nb system was performed using the CALPHAD method based on a review of the available literature and ab initio calculations for the hypothetical end members of the C15 Laves phase. Recent experiments reported in the literature revealed that there is no C14 type high temperature phase in this system, which is in contrast to most of the literature. A thorough analysis of these reports, however, showed that the C14 phase has never been directly observed and that its presence had been derived from ternary phase diagram data, twinning of the C15 low temperature phase and erroneous interpretations of x-ray diffractograms. Due to the lack of clear evidence in favor of its existence, the C14 phase was not considered a thermodynamically stable compound in the present evaluation.
ISSN:1547-7037
1863-7345
1934-7243
DOI:10.1007/s11669-014-0313-y