Grain Boundary Development of Silicon during Directional Solidification: A Phase-Field Study (2206.04895v1)

Abstract: In order to control the grain structure of multi-crystalline (mc) silicon during directional solidification, the development process of grain boundaries (GBs) with respect to the temperature gradient should be understood. A phase-field model incorporated with anisotropic interface energy and anisotropic attachment kinetic coefficient has produced the faceted shape of a growing silicon crystal, which is in agreement with experimental observation. The growth of coupled silicon grains under various growth velocities has been simulated to see the morphology of the solid-liquid front and the development process of the GBs. It has been found that the direction of GB is governed by either the kinetic rule or the equilibrium rule at the grain groove, depending on the growth velocity and the orientation relationship between grains on two sides. The GB beneath a groove with facet-facet surfaces follows the bisector of the two surfaces, while the direction of a GB stays far from the bisector when the groove has a rough surface. This research provides a numerical approach to predicting grain boundary development and gaining insights from grain structure evolution in mc-silicon, which can be potentially applied for high-efficiency and low-cost solar cells.