The Journal of chemical physics · 2026
Defect organization in coexisting hexagonal and square lattices on ellipsoids.
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Liu Wenyu, Xie Han, Li Baohui, Chen Jeff Z Y, Li Yao
Аннотация
Curvature and topology jointly organize defects in two-dimensional crystals, but their combined role remains unresolved when competing lattice symmetries coexist with spatially varying curvature. We use simulated-annealing Langevin dynamics to study Hertzian particles forming coexisting hexagonal (Hex) and square (Sq) lattices on prolate and oblate ellipsoids. Mapping reduced density and aspect ratio reveals a broad sequence of scar- and domain-based morphologies in both Hex-dominant and Sq-dominant backgrounds. Latitude-resolved comparisons show that Gaussian curvature biases defects toward its maxima under weak deformation. Strong prolateness, however, confines high curvature to small polar caps that cannot independently accommodate all defect motifs. Defects then spread toward lower-curvature latitudes to relieve defect crowding and elastic repulsion. In the Hex-dominant regime, this competition drives vertex-contacted domains with neutralized corner contacts, and compensating positive defects locate away from the poles. The Sq-dominant regime features Hex-rich triangular domains, bridged states, and linear or open scars similarly reorganized by curvature anisotropy. On oblate ellipsoids, the extended equatorial high-curvature belt allows defects to separate azimuthally while remaining curvature-localized. This work elucidates that nonuniform curvature can engineer rich defect patterns by selecting the spatial distribution of topological charge and the connectivity of finite defect motifs.