ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Phase-field simulation of precipitation using the CALPHAD sublattice approach and thermodynamic databases

Date: 04.06.2014
Place: Calphad XLIII, Changsha, China

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

We present simulation of a precipitation process in ternary Fe-V-C low alloyed steel using the new approach which allows incorporating CALPHAD models directly into the phase-field formalism without the need of external energy minimization [1]. In the case of Fe-V-C steel a direct relation between the element concentrations and the element site fractions is given by the thermodynamic models in the thermodynamic databases. The proposed approach provides advantages over the use of energy minimizers withing the available CALPHAD tools and is suited for large scale phase-field simulations necessary for investigating precipitation in low alloyed steel while still providing exact thermodynamic values for calculation of chemical driving forces. Preliminary simulation results will be presented, detailing the growth of coherent Vanadium carbide precipitates with attention to thermodynamic equilibrium and kinetics.

[1] 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 ,” 2014, (submitted).

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