Hard superellipse phases: particle shape anisotropy & curvature
Hard superellipse phases: particle shape anisotropy & curvature
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硬超椭圆相：颗粒形状各向异性
DOI：
10.1039/d1sm01523k
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发表时间：
2022
期刊：
影响因子：
3.4
通讯作者：
Bevan, Michael A.
中科院分区：
文献类型：
--
作者：
Torres-Díaz, Isaac;Hendley, Rachel S.;Mishra, Akhilesh;Yeh, Alex J.;Bevan, Michael A.
我们报道了二维凸硬超椭圆粒子相与粒子形状参数(包括长宽比、角曲率和侧壁曲率)之间的计算机模拟。所研究的形状包括圆盘、椭圆、正方形、矩形和菱形，以及曲率不均匀的形状，包括圆形正方形、圆形矩形和圆形菱形。利用取向有序度、有序参数和一种新的伸缩键取向有序参数，我们系统地确定了决定液晶和晶相的粒子形状属性，包括它们的粗边界和对称性。我们观察到的相包括各向同性、向列相、四方相、塑料晶体、正方形晶体和六方晶体(包括拉伸变体)。我们的结果对已知的基准形状进行了分类，但也包括了在已知形状之间插入的新形状。我们的结果表明了粒子形状的设计规则，这些规则决定了可以通过粒子组装实现的二维液晶、液晶和晶体微结构。
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.