Nucleation and phase transition of spherical crystals and quasicrystals

Abstract

We investigated the nucleation, growth, and solid-to-solid phase transition processes of spherical six-fold symmetric crystals (C6) and ten-fold symmetric quasicrystals (DQC) using the Lifshitz-Petrich model. By combining the spherical-harmonic pseudospectral method with a nullspace-preserving saddle-point search technique, we resolved the critical nucleus structures and phase transition pathways. Although both transitions from the homogeneous state to the ordered state involve the formation of localized critical nuclei, their subsequent growth processes exhibit distinct modes of accommodating geometric mismatch: C6 forms branched domain structures and persistent line defects associated with orientation and phase mismatches, whereas DQC relaxes collision-induced defects through local coordination rearrangements. The resolved DQC-to-C6 pathway proceeds through a series of metastable intermediates that progressively connect these distinct modes of mismatch accommodation. Its multi-step character reflects the coupled adjustment of local coordination and compatibility between the emerging C6 domains. These results reveal the intrinsic link between the multi-step nature of the phase transition and the distinct structural requirements for accommodating geometric mismatch.