An O(N) method is presented for calculation of hydrodynamic or electrostatic interactions between N point particles in a confined geometry. This approach splits point forces or sources into a local contribution for which rapidly decaying free-space analytical solutions to the Stokes or Poisson equations are used, and a global contribution whose effect is determined numerically using a fast iterative method. The scheme is applied to Brownian dynamics simulations of flowing confined polymer solutions, and the effects of concentration on hydrodynamically induced migration phenomena are illustrated.
Despite the development and deployment of antibody and vaccine countermeasures, rapidly-spreading SARS-CoV-2 variants with mutations at key antigenic sites in the spike protein jeopardize their efficacy. The recent emergence of B.1.1.529, the Omicron variant1,2, which has more than 30 mutations in the spike protein, has raised concerns for escape from protection by vaccines and therapeutic antibodies. A key test for potential countermeasures against B.1.1.529 is their activity in pre-clinical rodent models of respiratory tract disease. Here, using the collaborative network of the SARS-CoV-2 Assessment of Viral Evolution (SAVE) program of the National Institute of Allergy and Infectious Diseases (NIAID), we evaluated the ability of multiple B.1.1.529 Omicron isolates to cause infection and disease in immunocompetent and human ACE2 (hACE2) expressing mice and hamsters. Despite modeling and binding data suggesting that B.1.1.529 spike can bind more avidly to murine ACE2, we observed attenuation of infection in 129, C57BL/6, and BALB/c mice as compared with previous SARS-CoV-2 variants, with limited weight loss and lower viral burden in the upper and lower respiratory tracts. Although K18-hACE2 transgenic mice sustained infection in the lungs, these animals did not lose weight. In wild-type and hACE2 transgenic hamsters, lung infection, clinical disease, and pathology with B.1.1.529 also were milder compared to historical isolates or other SARS-CoV-2 variants of concern. Overall, experiments from multiple independent laboratories of the SAVE/NIAID network with several different B.1.1.529 isolates demonstrate attenuated lung disease in rodents, which parallels preliminary human clinical data.
Technological applications of liquid crystals have generally relied on control of molecular orientation at a surface or an interface. Such control has been achieved through topography, chemistry and the adsorption of monolayers or surfactants. The role of the substrate or interface has been to impart order over visible length scales and to confine the liquid crystal in a device. Here, we report results from a computational study of a liquid-crystal-based system in which the opposite is true: the liquid crystal is used to impart order on the interfacial arrangement of a surfactant. Recent experiments on macroscopic interfaces have hinted that an interfacial coupling between bulk liquid crystal and surfactant can lead to a two-dimensional phase separation of the surfactant at the interface, but have not had the resolution to measure the structure of the resulting phases. To enhance that coupling, we consider the limit of nanodroplets, the interfaces of which are decorated with surfactant molecules that promote local perpendicular orientation of mesogens within the droplet. In the absence of surfactant, mesogens at the interface are all parallel to that interface. As the droplet is cooled, the mesogens undergo a transition from a disordered (isotropic) to an ordered (nematic or smectic) liquid-crystal phase. As this happens, mesogens within the droplet cause a transition of the surfactant at the interface, which forms new ordered nanophases with morphologies dependent on surfactant concentration. Such nanophases are reminiscent of those encountered in block copolymers, and include circular, striped and worm-like patterns.
Liquid-crystal blue phases (BPs) are highly ordered at two levels. Molecules exhibit orientational order at nanometer length scales, while chirality leads to ordered arrays of double-twisted cylinders over micrometer scales. Past studies of polycrystalline BPs were challenged by the existence of grain boundaries between randomly oriented crystalline nanodomains. Here, the nucleation of BPs is controlled with precision by relying on chemically nanopatterned surfaces, leading to macroscopic single-crystal BP specimens where the dynamics of mesocrystal formation can be directly observed. Theory and experiments show that transitions between two BPs having a different network structure proceed through local reorganization of the crystalline array, without diffusion of the doubletwisted cylinders. In solid crystals, martensitic transformations between crystal structures involve the concerted motion of a few atoms, without diffusion. The transformation between BPs, where crystal features arise in the submicron regime, is found to be martensitic in nature when one considers the collective behavior of the double-twist cylinders. Single-crystal BPs are shown to offer fertile grounds for the study of directed crystal nucleation and the controlled growth of soft matter.T here is considerable interest in understanding at a fundamental level the processes through which crystals are nucleated, and how they grow and transform between different lattice symmetries. Among crystal-crystal transformations, martensitic transitions are of particular interest, as they involve a collective and diffusionless atomic rearrangement that occurs at velocities comparable to the speed of sound in the material (1). Here, we use liquid crystals (LCs) that exhibit long-range order and crystalline symmetries with lattice constants in the submicron regime, the socalled blue phases (BPs), to study a liquid analog of a crystalcrystal transformation. BPs are thermodynamically stable liquid crystalline states that occur in a narrow range of temperatures between the cholesteric (Chol) and isotropic (I) phases of chiral LCs. In BPs, the molecules are locally oriented and organized in such a way as to form structures known as double-twist cylinders. These cylinders, which arise from a balance of long-range elastic distortions and short-range enthalpic contributions to the free energy, adopt a cubic lattice structure, which is interdispersed by an ordered network of topological defects (disclination lines). Depending on the thermodynamic conditions, the double-twist cylinders adopt a body-centered cubic structure (BCC), which produces the so-called blue phase I (or BPI), or they adopt a simple cubic structure (SC), which corresponds to the so-called blue phase II (or BPII). In both cases, the lattice parameters are on the order of a few hundred nanometers (2-4). BPs exhibit selective light reflections; they have fast electro-optical switching characteristics, with submillisecond response times, and their viscosity is relatively large (3,(5)(6)(7)(8). This c...
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