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Diffusion and segregation of niobium in fcc-nickel

Connétable, Damien and Ter-Ovanessian, Benoît and Andrieu, Eric Diffusion and segregation of niobium in fcc-nickel. (2012) Journal of Physics: Condensed Matter, 24 (9). 1-5. ISSN 0953-8984

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Official URL: http://dx.doi.org/10.1088/0953-8984/24/9/095010

Abstract

Niobium is one of the major alloying elements, among the refractory elements, contributing to the strengthening of superalloys. Consequently, data about its behavior and its migration mechanism in fcc-Ni are essential knowledge to understand and control the strengthening in such alloys. We present in this work Nb interactions, solubility and diffusion in Ni performed by using the GGA approximation of the density functional theory. The substituted site is found to be the most favorable configuration in comparison to the tetrahedral and octahedral sites. The effect of temperature on solubility is discussed taking into account the thermal expansion of the lattice parameter and the vibrational contribution. Its diffusion mechanism is also discussed and compared to the literature. We finally discuss the segregation of Nb atoms on a 65-(012) symmetric tilt grain boundary.

Item Type:Article
Additional Information:Thanks to IOP Publishing editor. The definitive version is available at http://iopscience.iop.org The original PDF of the article can be found at IOP science website : http://iopscience.iop.org/0953-8984/24/9/095010/
HAL Id:hal-01170517
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UPS (FRANCE)
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Funders:
HPC resources of CALMIP (CICT Toulouse, France) under the allocations 2009/2010-p0842 and 2011-p0912
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Deposited By: cirimat webmestre
Deposited On:01 Jul 2015 14:23

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