Journal of Phase Equilibria and Diffusion

, Volume 28, Issue 1, pp 101–106

CALPHAD and Phase-Field Modeling: A Successful Liaison


    • RWTH-Aachen, ACCESS e.V.
  • B. Böttger
    • RWTH-Aachen, ACCESS e.V.
  • J. Eiken
    • RWTH-Aachen, ACCESS e.V.
  • N. Warnken
    • RWTH-Aachen, ACCESS e.V.
  • S. G. Fries
    • SGF Scientific Consultancy
    • Equipe Physico-chimie des Matériaux Organisés FonctionnelsUniversité Montpellier II, Institut C. Gerhardt, UMR-CNRS 5253
Basic and Applied Research

DOI: 10.1007/s11669-006-9009-2

Cite this article as:
Steinbach, I., Böttger, B., Eiken, J. et al. J Phs Eqil and Diff (2007) 28: 101. doi:10.1007/s11669-006-9009-2


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.


CALPHADmetastable phasesmicrostructurephase transitionsPhase-Field modeling

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© ASM International 2007