Jun Geng

Morphology transition in lipid vesicles due to in-plane order and topological defects

Complex morphologies in lipid membranes typically arise due to chemical heterogeneity, but in the tilted gel phase, complex shapes can form spontaneously even in a membrane containing only a single lipid component. We explore this phenomenon via experiments and coarse-grained simulations on giant unilamellar vesicles of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine. When cooled from the untilted Lα liquid-crystalline phase into the tilted gel phase, vesicles deform from smooth spheres to disordered, highly crumpled shapes. We propose that this shape evolution is driven by nucleation of complex membrane microstructure with topological defects in the tilt orientation that induce nonuniform membrane curvature. Coarse-grained simulations demonstrate this mechanism and show that kinetic competition between curvature change and defect motion can trap vesicles in deeply metastable, defect-rich structures.

Coarse-Grained Modeling of a Deformable Nematic Vesicle

We develop a coarse-grained particle-based model to simulate membranes with nematic liquid-crystal order. The coarse-grained particles form vesicles which, at low temperature, have orientational order in the local tangent plane. As the strength of coupling between the nematic director and the vesicle curvature increases, the vesicles show a morphology transition from spherical to prolate and finally to a tube. We also observe the shape and defect arrangement around the tips of the prolate vesicle.

Nematic order on a deformable vesicle: theory and simulation

In membranes with nematic liquid-crystalline order, there is a geometric coupling between the nematic director and the shape: nonuniformity in the director induces curvature, and curvature provides an effective potential acting on the director. For a closed vesicle, there must be a total topological charge of +2, which normally occurs as four defects of charge +1/2 each. Previous research has suggested that these four defects will form a regular tetrahedron, leading to a tetrahedral shape of the vesicle, which may be useful in designing colloidal particles for photonic applications. Here, we use three approaches to investigate the behavior of a nematic vesicle: particle-based simulation, spherical harmonic expansion, and finite-element modeling. When liquid crystal has a purely 2D intrinsic interaction, we find that the perfect tetrahedral shape is stable over a wide range of parameters. However, when it has a 3D intrinsic and extrinsic interaction, the perfect tetrahedral shape is never stable; the vesicle is a distorted tetrahedron for small Frank constant and a highly elongated rectangle for larger Frank constant. These results show the difficulty in designing tetrahedral structures for photonic crystals.

Theory and simulation of two-dimensional nematic and tetratic phases.

Recent experiments and simulations have shown that two-dimensional systems can form tetratic phases with fourfold rotational symmetry, even if they are composed of particles with only twofold symmetry. To understand this effect, we propose a model for the statistical mechanics of particles with almost fourfold symmetry, which is weakly broken down to twofold. We introduce a coefficient kappa to characterize the symmetry breaking, and find that the tetratic phase can still exist even up to a substantial value of kappa. Through a Landau expansion of the free energy, we calculate the mean-field phase diagram, which is similar to the result of a previous hard-particle excluded-volume model. To verify our mean-field calculation, we develop a Monte Carlo simulation of spins on a triangular lattice. The results of the simulation agree very well with the Landau theory.

Deformation of an asymmetric thin film

Experiments have investigated shape changes of polymer films induced by asymmetric swelling by a chemical vapor. Inspired by recent work on the shaping of elastic sheets by non-Euclidean metrics [Y. Klein, E. Efrati, and E. Sharon, Science 315, 1116 (2007)], we represent the effect of chemical vapors by a change in the target metric tensor. In this problem, unlike that earlier work, the target metric is asymmetric between the two sides of the film. Changing this metric induces a curvature of the film, which may curve into a partial cylinder or a partial sphere. We calculate the elastic energy for each of these shapes and show that the sphere is favored for films smaller than a critical size, which depends on the film thickness, while the cylinder is favored for larger films.