Hard superellipse phases: particle shape anisotropy & curvature

We report computer simulations of two-dimensional convex hard superellipse particle phases vs. particle shape parameters including aspect ratio, corner curvature, and sidewall curvature. Shapes investigated include disks, ellipses, squares, rectangles, and rhombuses, as well as shapes with non-unifo...

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Bibliographic Details
Published in:Soft matter 2022-02, Vol.18 (6), p.1319-133
Main Authors: Torres-Díaz, Isaac, Hendley, Rachel S, Mishra, Akhilesh, Yeh, Alex J, Bevan, Michael A
Format: Article
Language:English
Subjects:
Anisotropy
Aspect ratio
Crystal structure
Crystallinity
Crystals
Curvature
Disks
Liquid crystals
Mathematical models
Nematic crystals
Order parameters
Parameter identification
Particle shape
Phases
Rectangles
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Summary:We report computer simulations of two-dimensional convex hard superellipse particle phases vs. particle shape parameters including aspect ratio, corner curvature, and sidewall curvature. Shapes investigated include disks, ellipses, squares, rectangles, and rhombuses, as well as shapes with non-uniform curvature including rounded squares, rounded rectangles, and rounded rhombuses. Using measures of orientational order, order parameters, and a novel stretched bond orientational order parameter, we systematically identify particle shape properties that determine liquid crystal and crystalline phases including their coarse boundaries and symmetry. We observe phases including isotropic, nematic, tetratic, plastic crystals, square crystals, and hexagonal crystals (including stretched variants). Our results catalog known benchmark shapes, but include new shapes that also interpolate between known shapes. Our results indicate design rules for particle shapes that determine two-dimensional liquid, liquid crystalline, and crystalline microstructures that can be realized via particle assembly. Computer simulations are reported for hard superellipse particle phases vs . aspect ratio and curvature. Findings indicate design rules for how shape determines diverse two-dimensional liquid, liquid crystalline, and crystalline microstructures.
ISSN:1744-683X
1744-6848
DOI:10.1039/d1sm01523k