ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Phase-field model with Gibbs energy formulation using the sublattice formalism

Date: 24.09.2014
Time: 11:45 AM
Place: Materials Science and Engineering MSE, Darmstadt, Germany

Matthias Stratmann
Lijun Zhang, State Key Laboratory of Powder Metallurgy, Central South University, Changsha, China
Oleg Shchyglo
Ingo Steinbach

Based on a recently developed phase-field model with finite interface dissipation, an approach to directly incorporate the CALPHAD sublattice model in phase-field formalism is developed [1]. In binary alloys, the sublattice models can be classified into two types. For “Type I” sublattice model, a direct one-to-one relation between the element site fraction and the phase concentration was found to exist. As for “Type II” sublattice model, the one-to-one relation can be established via an internal relaxation between different sublattices. With the present coupling techniques, the free energy and potential information from the CALPHAD database can be directly utilized in the phase-field simulation.

The coupling technique using CALPHAD software was successfully applied to study phase transformations in Fe-alloys.

[1] L. Zhang, M. Stratmann, Y. Du, B. Sundman and I. Steinbach, “Coupling of the phase-field model with finite interface dissipation and the sublattice model in CALPHAD formalism”, submitted, 2014

Supporting information:

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