Zhenwei Yao

Morphology of nematic and smectic vesicles

Recent experiments on vesicles formed from block copolymers with liquid-crystalline side chains reveal a rich variety of vesicle morphologies. The additional internal order (“structure”) developed by these self-assembled block copolymer vesicles can lead to significantly deformed vesicles as a result of the delicate interplay between two-dimensional ordering and vesicle shape. The inevitable topological defects in structured vesicles of spherical topology also play an essential role in controlling the final vesicle morphology. Here we develop a minimal theoretical model for the morphology of the membrane structure with internal nematic/smectic order. Using both analytic and numerical approaches, we show that the possible low free energy morphologies include nano-size cylindrical micelles (nano-fibers), faceted tetrahedral vesicles, and ellipsoidal vesicles, as well as cylindrical vesicles. The tetrahedral vesicle is a particularly fascinating example of a faceted liquid-crystalline membrane. Faceted liquid vesicles may lead to the design of supramolecular structures with tetrahedral symmetry and new classes of nano-carriers.

The Shrinking Instability of Toroidal Liquid Droplets in the Stokes Flow Regime

Abstract.We analyze the stability and dynamics of toroidal liquid droplets. In addition to the Rayleigh instabilities akin to those of a cylindrical droplet there is a shrinking instability that is unique to the topology of the torus and dominates in the limit that the aspect ratio is near one (fat tori). We first find an analytic expression for the pressure distribution inside the droplet. We then determine the velocity field in the bulk fluid, in the Stokes flow regime, by solving the biharmonic equation for the stream function. The flow pattern in the external fluid is analyzed qualitatively by exploiting symmetries. This elucidates the detailed nature of the shrinking mode and the swelling of the cross-section following from incompressibility. Finally the shrinking rate of fat toroidal droplets is derived by energy conservation.

Crystalline particle packings on constant mean curvature (Delaunay) surfaces

We investigate the structure of crystalline particle arrays on constant mean curvature (CMC) surfaces of revolution. Such curved crystals have been realized physically by creating charge-stabilized colloidal arrays on liquid capillary bridges. CMC surfaces of revolution, classified by Delaunay in 1841, include the 2-sphere, the cylinder, the vanishing mean curvature catenoid (a minimal surface), and the richer and less investigated unduloid and nodoid. We determine numerically candidate ground-state configurations for 1000 pointlike particles interacting with a pairwise-repulsive 1/r(3) potential, with distance r measured in three-dimensional Euclidean space R(3). We mimic stretching of capillary bridges by determining the equilibrium configurations of particles arrayed on a sequence of Delaunay surfaces obtained by increasing or decreasing the height at constant volume starting from a given initial surface, either a fat cylinder or a square cylinder. In this case, the stretching process takes one through a complicated sequence of Delaunay surfaces, each with different geometrical parameters, including the aspect ratio, mean curvature, and maximal Gaussian curvature. Unduloids, catenoids, and nodoids all appear in this process. Defect motifs in the ground state evolve from dislocations at the boundary to dislocations in the interior to pleats and scars in the interior and then isolated sevenfold disclinations in the interior as the capillary bridge narrows at the waist (equator) and the maximal (negative) Gaussian curvature grows. We also check theoretical predictions that the isolated disclinations are present in the ground state when the surface contains a geodesic disk with integrated Gaussian curvature exceeding -π/3. Finally, we explore minimal energy configurations on sets of slices of a given Delaunay surface, and we obtain configurations and defect motifs consistent with those seen in stretching.

Crystalline order on catenoidal capillary bridges

We study the defect structure of crystalline particle arrays on negative Gaussian curvature capillary bridges with vanishing mean curvature (catenoids). The threshold aspect ratio for the appearance of isolated disclinations is found and the optimal positions for dislocations determined. We also discuss the transition from isolated disclinations to scars as particle number and aspect ratio are varied.

Self-propulsion of droplets by spatially-varying surface topography

Under partial wetting conditions, making a substrate uniformly rougher enhances the wetting characteristics of the corresponding smooth substrate—hydrophilic systems become even more hydrophilic and hydrophobic systems even more hydrophobic. Here we show theoretically that spatial texturing of the substrate topography may lead to spontaneous propulsion of droplets. Individual droplets tend to be driven toward regions of maximal roughness for intrinsically hydrophilic systems and toward regions of minimal roughness for intrinsically hydrophobic systems. Spatial texturing can be achieved by patterning the substrate with sinusoidal wrinkles whose wavelength varies in one direction (inhomogeneous wrinkling) or lithographically etching a radial pattern of fractal (Koch curve) grooves on the substrate. Richer energy landscapes for droplet trajectories can be designed by combining texturing of spatial topography with chemical or material patterning of the substrate.

Emergent perversions in the buckling of heterogeneous elastic strips

Significance Perversions in an otherwise uniform helical structure provide the mechanism of helical symmetry breaking. In this work, using a three-dimensional elastomeric bistrip model, we investigate the intrinsic properties of perversions that are independent of specific strip shapes. Besides the fundamental role as generic domain walls that connect states of distinct symmetries, this study reveals richer physics of perversions in the three-dimensional elastic system. The major findings include the condensation of strain energy over perversions, the identification of the repulsive nature of the perversion–perversion interaction, and the coalescence of perversions. These intrinsic properties of perversions may have implications to the understanding of relevant biological motifs and the designing of micromuscles and soft robotics. A perversion in an otherwise uniform helical structure, such as a climbing plant tendril, refers to a kink that connects two helices with opposite chiralities. Such singularity structures are widely seen in natural and artificial mechanical systems, and they provide the fundamental mechanism of helical symmetry breaking. However, it is still not clear how perversions arise in various helical structures and which universal principles govern them. As such, a heterogeneous elastic bistrip system provides an excellent model to address these questions. Here, we investigate intrinsic perversion properties which are independent of strip shapes. This study reveals the rich physics of perversions in the 3D elastic system, including the condensation of strain energy over perversions during their formation, the repulsive nature of the perversion–perversion interaction, and the coalescence of perversions that finally leads to a linear defect structure. This study may have implications for understanding relevant biological motifs and for use of perversions as energy storers in the design of micromuscles and soft robotics.

Buckling and competition of energy and entropy lead conformation of single-walled carbon nanocones

Using a continuum model, expressions for the elastic energy, defect energy, structure entropy, and mixing entropy of carbon nanocones are proposed analytically. The optimal conformation of carbon nanocones is studied by imposing minimization of free energy and analyzing the effects that the buckling of a nanocone’s walls have during formation. The model explains the experimentally observed preference of 19.2° for the cone angle of carbon nanocone. Furthermore, it predicts the optimal conformation of carbon nanocones to result in a cone angle of 19.2°, radius of 0.35nm, and critical length of 24nm, all of which agree very well with experimental observations.

Polydispersity-driven topological defects as order-restoring excitations

Significance Defects play an essential role in many aspects of materials. To actively introduce defects and to understand their roles in affecting the crystallinity constitutes fundamental problems in materials science. In this paper we report the introduction of topological defects by size polydispersity. Size polydispersity is usually an inevitable feature of a variety of real systems. It is important in several research fields to know how size polydispersity affects the degree of crystallinity and enhances mechanical properties of materials. In this study, the defects are found to be order-restoring excitations protecting the crystalline order. Moreover, they are shown to be crucial for the attraction of impurity particles. The disclosed mechanism may lead to engineering defects by size polydispersity. The engineering of defects in crystalline matter has been extensively exploited to modify the mechanical and electrical properties of many materials. Recent experiments on manipulating extended defects in graphene, for example, show that defects direct the flow of electric charges. The fascinating possibilities offered by defects in two dimensions, known as topological defects, to control material properties provide great motivation to perform fundamental investigations to uncover their role in various systems. Previous studies mostly focus on topological defects in 2D crystals on curved surfaces. On flat geometries, topological defects can be introduced via density inhomogeneities. We investigate here topological defects due to size polydispersity on flat surfaces. Size polydispersity is usually an inevitable feature of a large variety of systems. In this work, simulations show well-organized induced topological defects around an impurity particle of a wrong size. These patterns are not found in systems of identical particles. Our work demonstrates that in polydispersed systems topological defects play the role of restoring order. The simulations show a perfect hexagonal lattice beyond a small defective region around the impurity particle. Elasticity theory has demonstrated an analogy between the elementary topological defects named disclinations to electric charges by associating a charge to a disclination, whose sign depends on the number of its nearest neighbors. Size polydispersity is shown numerically here to be an essential ingredient to understand short-range attractions between like-charge disclinations. Our study suggests that size polydispersity has a promising potential to engineer defects in various systems including nanoparticles and colloidal crystals.

Topological vacancies in spherical crystals

Understanding geometric frustration of ordered phases in two-dimensional condensed matter on curved surfaces is closely related to a host of scientific problems in condensed matter physics and materials science. Here, we show how two-dimensional Lennard-Jones crystal clusters confined on a sphere resolve geometric frustration and form pentagonal vacancy structures. These vacancies, originating from the combination of curvature and physical interaction, are found to be topological defects and they can be further classified into dislocational and disclinational types. We analyze the dual role of these crystallographic defects as both vacancies and topological defects, illustrate their formation mechanism, and present the phase diagram. The revealed dual role of the topological vacancies may find applications in the fabrication of robust nanopores. This work also shows the promising potential of exploiting richness in both physical interactions and substrate geometries to create new types of crystallographic defects, which have strong connections with the design of crystalline materials.

Curvature-driven stability of defects in nematic textures over spherical disks

Stabilizing defects in liquid-crystal systems is crucial for many physical processes and applications ranging from functionalizing liquid-crystal textures to recently reported command of chaotic behaviors of active matters. In this work, we perform analytical calculations to study the curvature-driven stability mechanism of defects based on the isotropic nematic disk model that is free of any topological constraint. We show that in a growing spherical disk covering a sphere the accumulation of curvature effect can prevent typical +1 and +1/2 defects from forming boojum textures where the defects are repelled to the boundary of the disk. Our calculations reveal that the movement of the equilibrium position of the +1 defect from the boundary to the center of the spherical disk occurs in a very narrow window of the disk area, exhibiting the first-order phase-transition-like behavior. For the pair of +1/2 defects by splitting a +1 defect, we find the curvature-driven alternating repulsive and attractive interactions between the two defects. With the growth of the spherical disk these two defects tend to approach and finally recombine towards a +1 defect texture. The sensitive response of defects to curvature and the curvature-driven stability mechanism demonstrated in this work in nematic disk systems may have implications towards versatile control and engineering of liquid-crystal textures in various applications.