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CALPHAD and Phase-Field Modeling: A Successful Liaison

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Abstract

The connection between CALPHAD models and Phase-Field models is discussed against the background of minimization of the total Gibbs energy of a system. Both methods are based on separation of a multiphase system into individual contributions of the bulk phases, which are described by appropriate models in composition, temperature, and pressure. While the CALPHAD method uses a global minimization of the total Gibbs energy, the Phase-Field method introduces local interactions, interfaces, and diffusion and allows for non-equilibrium situations. Thus, the Phase-Field method is much more general by its concept, however, it can profit a lot if realistic thermodynamic descriptions, as provided by the CALPHAD method, are incorporated. The present paper discusses details of a direct coupling between the Multiphase-Field method and the CALPHAD method. Examples are presented from solidification of technical Mg and Ni base alloys and some problems arising from common practice concerning thermodynamic descriptions in order-disorder systems.

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Notes

  1. 1In an atomistic picture \({\upeta _{\upalpha \upbeta}}\) will be different pairs of phases, however, when used in a Phase-Field calculation on a microscopic scale, this would only be justified for numerical stability reasons.

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Acknowledgments

We like to thank Dr. N. Dupin for providing information for the Ni database and the German research foundation (DFG) for financial support under the integrated project SPP1168 and the collaborative research center SFB370.

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Authors and Affiliations

  1. RWTH-Aachen, ACCESS e.V., Intzestr 5, 52072, Aachen, Germany

    I. Steinbach, B. Böttger, J. Eiken & N. Warnken

  2. SGF Scientific Consultancy, Arndtstr. 9, 52064, Aachen, Germany

    S. G. Fries

  3. Equipe Physico-chimie des Matériaux Organisés Fonctionnels, Université Montpellier II, Institut C. Gerhardt, UMR-CNRS 5253, Montpellier, France

    S. G. Fries

Authors
  1. I. Steinbach
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  2. B. Böttger
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  3. J. Eiken
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  4. N. Warnken
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  5. S. G. Fries
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Correspondence to I. Steinbach.

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Steinbach, I., Böttger, B., Eiken, J. et al. CALPHAD and Phase-Field Modeling: A Successful Liaison. J Phs Eqil and Diff 28, 101–106 (2007). https://doi.org/10.1007/s11669-006-9009-2

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  • DOI: https://doi.org/10.1007/s11669-006-9009-2

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