Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
Simulations of the eutectic transformations in the platinum–carbon system
A. Monas, P. Bloembergen, W. Dong, O. Shchyglo, I. Steinbach.
International Journal of Thermophysics, 36, 3366-3383, (2015)
In this paper, we present the simulation of the eutectic phase transitions in the Pt–C system, in terms of both freezing and melting, using the multi-phase-field model. The experimentally obtained heat-extraction and -injection rates associated with the induction of freezing and melting are converted into the corresponding rates for microstructure-scale simulations. In spite of the extreme differences in the volume fractions of the FCC–Pt-rich phase on the one hand and graphite (C) on the other, satisfactory results for the kinetics of solidification and melting have been obtained, involving reasonable offsets in temperature, inducing freezing and melting, with respect to the equilibrium eutectic temperature. For freezing in the simulations, the needle/rod-like morphology, as experimentally observed, was reproduced for different heat extraction rates. The seemingly anomalous peak characterizing the simulated freezing curves is ascribed to the speed up of the solidification process due to the curvature effect. Similarly, a peak is observed in the experimental freezing curves, also showing up more clearly with increasing freezing rates. Melting was simulated starting from a frozen structure produced by a freezing simulation. The simulations reproduce the experimental melting curves and, together with the simulated freezing curves, help to understand the phase transition of the Pt–C eutectic. Finally, the effect of metallic impurities was studied. As shown for Au, impurities affect the morphology of the eutectic structure, their impact increasing with the impurity content, i.e., they can act as modifiers of the structure, as earlier reported for irregular eutectics.