Phase Field Simulation Research on the Microstructural Evolution of Monocrystalline and Polycrystalline Silicon

Abstract

This work simulates the morphological evolution process of the solidification interface of silicon crystal. Based on the phase field model of single dendrite growth of pure material in a single-phase system, the control equation of the phase field is re-optimized, and an interface free energy anisotropy equation that can simulate the competitive growth of multiple crystal grains is established. The competitive growth of polysilicon is then simulated and analyzed. The results show that when the degree of undercooling exceeds a certain value, the non-facet crystals are transformed into facet crystals. The main branches in each direction are relatively thick when the anisotropy is small. With increasing anisotropy, the main branches in each direction show gradual thinning, and edges and corners appear on the interface. The dendrites are no longer smooth, and they transform from non-facet crystals to facet crystals. The main branches of different grains inhibit each other when multiple crystal grains compete for growth. The growth of the main branches is curved, which is different from existing branches. The experimental results can more realistically simulate the evolution process of single-crystal silicon and polycrystalline silicon crystal micromorphology.