Computational fluid dynamics for nematic liquid crystals

Due to recent advances in fast iterative solvers in the field of computational fluid dynamics, more complex problems which were previously beyond the scope of standard techniques can be tackled. In this paper, we describe one such situation, namely, modelling the interaction of flow and molecular orientation in a complex fluid such as a liquid crystal. Specifically, we consider a nematic liquid crystal in a spatially inhomogeneous flow situation where the orientational order is described by a second rank alignment tensor. The evolution is determined by two coupled equations: a generalised Navier-Stokes equation for flow in which the divergence of the stress tensor also depends on the alignment tensor and its time derivative, and a convection-diffusion type equation with non-linear terms that stem from a Landau-Ginzburg-DeGennes potential for the alignment. In this paper, we use a specific model with three viscosity coefficients that allows the contribution of the orientation to the viscous stress to be cast in the form of an orientation-dependent force. This effectively decouples the flow and orientation, with each appearing only on the right-hand side of the other equation. In this way, difficulties associated with solving the fully coupled problem are circumvented and a stand-alone fast solver, such as the state-of-the-art preconditioned iterative solver implemented here, can be used for the flow equation. A time-discretised strategy for solving the flow-orientation problem is illustrated using the example of Stokes flow in a lid-driven cavity

Bistable curvature potential at hyperbolic points of nematic shells

none2siNematic shells are colloidal particles coated with nematic liquid crystal molecules which may freely glide and rotate on the colloid's surface while keeping their long axis on the local tangent plane. We describe the nematic order on a shell by a unit director field on an orientable surface. Equilibrium fields can then be found by minimising the elastic energy, which in general is a function of the surface gradient of the director field. We learn how to extract systematically out of this energy a fossil component, related only to the surface and its curvatures, which expresses a curvature potential for the molecular torque. At hyperbolic points on the colloid's surface, and only there, the alignment preferred by the curvature potential may fail to be a direction of principal curvature. There the fossil energy becomes bistable.openSonnet, André M; Virga, Epifanio GSonnet, André M; Virga, EPIFANIO GUIDO GIOVANN

NEOWISE: Observations of the Irregular Satellites of Jupiter and Saturn

We present thermal model fits for 11 Jovian and 3 Saturnian irregular satellites based on measurements from the WISE/NEOWISE dataset. Our fits confirm spacecraft-measured diameters for the objects with in situ observations (Himalia and Phoebe) and provide diameters and albedo for 12 previously unmeasured objects, 10 Jovian and 2 Saturnian irregular satellites. The best-fit thermal model beaming parameters are comparable to what is observed for other small bodies in the outer Solar System, while the visible, W1, and W2 albedos trace the taxonomic classifications previously established in the literature. Reflectance properties for the irregular satellites measured are similar to the Jovian Trojan and Hilda Populations, implying common origins.Comment: 17 pages, 3 figures, accepted for publication in Astrophysical Journa

Frequency dispersion reduction and bond conversion on n-type GaAs by in situ surface oxide removal and passivation

The method of surface preparation on n-type GaAs, even with the presence of an amorphous-Si interfacial passivation layer, is shown to be a critical step in the removal of accumulation capacitance frequency dispersion. In situ deposition and analysis techniques were used to study different surface preparations, including NH4OH, Si-flux, and atomic hydrogen exposures, as well as Si passivation depositions prior to in situ atomic layer deposition of Al2O3. As–O bonding was removed and a bond conversion process with Si deposition is observed. The accumulation capacitance frequency dispersion was removed only when a Si interlayer and a specific surface clean were combined

GaAs interfacial self-cleaning by atomic layer deposition

The reduction and removal of surface oxides from GaAs substrates by atomic layer deposition (ALD) of Al2O3 and HfO2 are studied using in situ monochromatic x-ray photoelectron spectroscopy. Using the combination of in situ deposition and analysis techniques, the interfacial "self-cleaning" is shown to be oxidation state dependent as well as metal organic precursor dependent. Thermodynamics, charge balance, and oxygen coordination drive the removal of certain species of surface oxides while allowing others to remain. These factors suggest proper selection of surface treatments and ALD precursors can result in selective interfacial bonding arrangements

Galactomannan Does Not Precede Major Signs on a Pulmonary Computerized Tomographic Scan Suggestive of Invasive Aspergillosis in Patients with Hematological Malignancies

Background. Detection of serum galactomannan (GM) antigen and presence of the halo sign on a pulmonary computerized tomographic (CT) scan have a high specificity but a low sensitivity to diagnose invasive aspergillosis (IA) in patients at risk for this disease. To our knowledge, the relationship between the time at which pulmonary infiltrates are detected by CT and the time at which GM antigens are detected by enzyme immunoassay (EIA) has not been studied. Methods. In a prospective study, tests for detection of GM were performed twice weekly for patients with hematological malignancies who had undergone hematopoetic stem cell transplantation (HSCT) or had received induction and/or consolidation chemotherapy. A pulmonary CT scan was performed once weekly. Infiltrates were defined as either major or minor signs. IA was classified as proven, probable, or possible, in accordance with the definition stated by the European Organization for Research and Treatment of Cancer-Invasive Fungal Infections Cooperative Group and the National Institute of Allergy and Infectious Diseases Mycoses Study Group. Results. We analyzed 161 episodes of infection in 107 patients (65 allogeneic HSCT recipients, 30 autologous HSCT recipients, and 66 induction and/or consolidation chemotherapy recipients). A total of 109 episodes with no IA, 32 episodes with possible IA, and 20 episodes with probable or proven IA were identified. Minor pulmonary signs were detected by CT in 70 episodes (43%), and major pulmonary signs were detected by CT in 11 episodes (7%). Univariate and multivariate analyses revealed no significant association between detection of GM by EIA and detection of abnormal pulmonary signs by CT. A significant association was found between GM levels and receipt of piperacillin-tazobactam. GM test results were not positive before major signs were seen on CT images. Only 7 (10%) of 70 patients with minor pulmonary signs had positive GM test results before detection of the greatest pathologic change by CT. Conclusions. We show that detection of GM by EIA does not precede detection of major lesions by pulmonary CT. In the clinical setting, the decision to administer mold-active treatment should based on detection of new pulmonary infiltrates on CT performed early during infection, rather than on results of EIA for detection of G

Hydrodynamics of topological defects in nematic liquid crystals

We show that back-flow, the coupling between the order parameter and the velocity fields, has a significant effect on the motion of defects in nematic liquid crystals. In particular the defect speed can depend strongly on the topological strength in two dimensions and on the sense of rotation of the director about the core in three dimensions.Comment: 4 pages including two figure

Opening the way to molecular cycloaddition of large molecules on supported silicene

Within density functional theory, the adsorption of the H2Pc molecule on the (3 × 3) silicene/(4 × 4) Ag(111) surface has been investigated. We observe an electronic redistribution in the central macrocycle of the H2Pc molecule and the formation of two Si − N covalent bonds between the molecule and the silicene, in agreement with a cycloaddition reaction. However, while on SiC(0001)(3 × 3) or Si(111)(3√×3√)R30 °-boron, the H2Pc molecule remains planar, and the H2Pc molecule takes a butterfly conformation on the silicene/Ag substrate due to an electrostatic or a polarization repulsion between the molecule and the silicene. Our study opens a way to the experimental adsorption of large organic molecules on supported silicene