Atomic-Scale Investigation of the Pattern Formation of Quasicrystal Growth by Phase-Field Crystal Simulations

Abstract

How quasicrystal nuclei grow into diversified patterns is of great significance for both quasicrystal research and crystal growth theory. Here, using the phase-field crystal model, we investigate the pattern formation of decagonal quasicrystal growth on the atomic scale. The results show that as the growth driving force increases, the obtained patterns change from equilibrium decagonal polyhedral and dendritic patterns to circular shapes, accompanying the transition from the slow-growth mode into the rapid growth mode. Meanwhile, the growth mechanisms undergo transitions from perfect matching growth and defect-repairing growth to decoupling growth, leading to the variation of liquid–solid phase transformation paths. Based on these results, we unravel the atomic-scale mechanisms for the morphological evolution processes from small 10-fold nuclei to diversified patterns. Our study not only contributes to a systematic understanding of the pattern formation of quasicrystal growth but can also enrich crystal growth theory by clarifying the common points and differences in the pattern formation and growth mechanisms between crystal and quasicrystal growth.