Grain Boundary Development of Silicon during Directional Solidification: A Phase-Field Study

TL;DR

This study uses a phase-field model to simulate silicon grain boundary development during directional solidification, revealing how growth velocity and surface morphology influence boundary orientation, aiding in optimizing silicon microstructure for solar cells.

Contribution

The paper introduces a phase-field simulation incorporating anisotropic energies to predict silicon grain boundary evolution during directional solidification, providing new insights into microstructure control.

Findings

GB direction governed by kinetic or equilibrium rule depending on growth conditions

Facet-facet grooves lead to GB bisector alignment

Rough grooves cause GB to deviate from bisector

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.