Full spectrum of grain boundary energy landscape in phase-field simulation of polygrain structures

Abstract In this study, we examine grain boundary energy as a function of both misorientation and inclination using a phase-field approach. Through systematic investigation of their independent and combined influence, we observe that misorientation appears to influence energetic preferences, with an increased frequency (approximately 35%) of low-angle boundaries (0–5 ∘ ), while inclination tends to affect local boundary geometry, with boundary planes showing preference for 45–50 ∘ inclination angles. Our simulations suggest that while inclination dependence influences boundary morphology, the combined effect leads to morphological features including elongated grains and distinctive growth kinetics. Notably, inclination-dominated cases show slower growth rates compared to isotropic or misorientation-dependent systems, though misorientation-dependent cases exhibit faster decrease in interface energy density. The model’s behavior is examined through studies of facet formation in cubic systems and configurations at multiple grain junctions. Statistical analysis of two-dimensional polycrystalline systems indicates that the interaction between misorientation and inclination may be more intricate than previously considered, suggesting potential value in incorporating both factors when studying anisotropic grain growth. These observations contribute to our developing understanding of microstructural evolution in polycrystalline materials.