Accessible Requires Authentication Published by De Gruyter May 17, 2019

Thermodynamic investigations in the Al–Fe system: Thermodynamic modeling using CALPHAD

Maximilian Rank, Peter Franke and Hans Jürgen Seifert

Abstract

The Al–Fe system has been modeled and optimized with the CALPHAD approach. Heat capacity values from three intermetallic phases (stoichiometric compositions: Al2Fe, Al5Fe2 and Al13Fe4) were experimentally determined and implemented into the Gibbs energy descriptions, thus the estimated heat capacity from Neumann–Kopp is substituted. From these results together with new literature values, a revised dataset of the binary Al–Fe system is presented. Based on the Compound Energy Formalism, the homogeneity range of the Al2Fe and Al5Fe2 phase is represented using a two-sublattice model. In addition, the Al8Fe5 phase has been modeled with a four-sublattice model and the number of sublattices of the Al13Fe4 phase has been changed from a three-sublattice model to a two-sublattice model. The critically assessed parameters provide a consistent thermodynamic dataset and represent most of the relevant thermochemical data as well as phase diagram data within their experimental uncertainties.


Correspondence address, Maximilian Rank, Institute for Applied Materials – Applied Materials Physics, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen 76344, Germany, Tel.: +49 721 608 28542, E-mail: , Web: http://www.iam.kit.edu/awp/index.php

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Received: 2018-06-28
Accepted: 2018-11-19
Published Online: 2019-05-17
Published in Print: 2019-05-15

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