ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

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Incorporating the CALPHAD sub-lattice approach of ordering into the phase-field model with finite interface dissipation

Date: 25.03.2014
Place: SiMiDe Spring School, Sundern, Germany

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

The liaison between phase-field methods and CalPhaD modeling has been going on for more than 8 years, but it became easily available with the first sophisticated coupling introduced in the MICRESS code [1], obtaining Gibbs energies and diffusion potentials from external thermodynamic energy minimizers and using them for interface and diffusion kinetics.

Since then, constant improvements have been added to multiple-phase multiple-component cases [2,3]. The most recent improvement uses an internal energy for calculating correct Gibbs energy densities and diffusion potentials [4].

References

1) J. Eiken, B. Böttger, and I. Steinbach, “Multiphase-field approach for multicomponent alloys with extrapolation scheme for numerical application,” Physical Review E, vol. 73, no. 6, p. 066122, Jun. 2006.

2) I. Steinbach, L. Zhang, and M. Plapp, “Phase-field model with finite interface dissipation,” Acta Materialia, vol. 60, no. 6–7, pp. 2689–2701, Apr. 2012.

3) L. Zhang and I. Steinbach, “Phase-field model with finite interface dissipation: Extension to multi-component multi-phase alloys,” Acta Materialia, vol. 60, no. 6–7, pp. 2702–2710, Apr. 2012.

4) L. Zhang, M. Stratmann, Y. Du, B. Sundman, and I. Steinbach, “Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation,” Acta Materialia, (submitted).

Supporting information:

stratmann_2014_03_25_SiMiDe.pdf
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