Scale-Bridging Thermodynamic and Kinetic Simulation (STKS)
Phase-field modeling of pores and precipitates in polycrystalline systems
J. Kundin, R. Schiedung, H. Sohaib, I. Steinbach.
Modelling and Simulation in Materials Science and Engineering, 26, 065003, (2018)
In this work, we develop an efficient phase-field approach to simulate the grain growth in polycrystalline ceramic materials in the presence of pores with various mobilities and diffusion coefficients. The multi-phase-field model is coupled to the Cahn–Hilliard equation for pore dynamics by interaction functions which describe the interaction of pores with grain boundaries. Two types of the model are suggested with one and two order parameters responsible for the pores. We also show that the model can be applied to the simulation of the interaction of the grain boundaries with coherent and non- coherent particles. The parameters of the model allow us to reproduce the equilibrium dihedral angle in the triple-junction of a pore or a particle and a grain boundary. A drag velocity of the grain boundary in the presence of pores or precipitates was also measured for various diffusion coefficients and grain boundary mobilities. The effects of the pore dynamics on the grain size evolution in ceramic materials was investigated and compared with reported theoretical predictions and experimental data.
Keyword(s): grain growth; phase-field modeling; porosity