Related papers: Surface anchoring on liquid crystalline polymer br…
We performed molecular dynamics simulations to study equilibrium and flow properties of a liquid in a nano-channel with confining surfaces coated with a layer of grafted semiflexible polymers. The coverage spans a wide range of grafting…
We have explored a model for adsorption of water into slit-like nanochannels with two walls chemically modified by grafted polymer layers forming brushes. A version of density functional method is used as theoretical tools. The water-like…
Selective adsorption in a two-dimensional model of a binary hard-disk mixture on patterned adhesive surfaces is studied using grand canonical Monte Carlo simulations. The two species have equal diameters and equal bulk chemical potentials,…
We demonstrate the generation of diverse material flow regimes in nematic liquid cells as driven by time-variable active surface anchoring, including no-net flow, oscillatory flow, steady flow, and pulsating flow. Specifically, we…
Large scale Monte Carlo simulations of dense layers of grafted polymer chains in good solvent conditions are used to explore the relaxation of a polymer brush. Monomer displacements are analyzed for the directions parallel and perpendicular…
We propose a hybrid lattice Boltzmann algorithm to simulate the hydrodynamics of colloidal particles inside a liquid crystalline host. To validate our algorithm, we study the static and the microrheology of a colloid in a nematic, with…
The isotropic-to-nematic transition in liquid crystals is studied in d=3 spatial dimensions. A simulation method is proposed to measure the angle dependent interfacial tension g(theta), with theta the anchoring angle of the nematic phase at…
The adsorption of a bottle-brush polymer end-grafted with one chain end of its backbone to a flat substrate surface is studied by Monte Carlo simulation of a coarse-grained model, that previously has been characterized in the bulk, assuming…
Using a coarse-grained bead-spring model for semi-flexible macromolecules forming a polymer brush, structure and dynamics of the polymers is investigated, varying chain stiffness and grafting density. The anchoring condition for the grafted…
The organization of nano-particles inside grafted polymer layers is governed by the interplay of polymer-induced entropic interactions and the action of externally applied fields. Earlier work had shown that strong external forces can drive…
The discrete Gaussian model for the surface of a crystal deposited on a disordered substrate is studied by Monte Carlo simulations. A continuous transition is found from a phase with a thermally-induced roughness to a glassy one in which…
Colloidal particles suspended in liquid crystals can exhibit various effective anisotropic interactions that can be tuned and utilized in self-assembly processes. We simulate a two-dimensional system of hard disks suspended in a solution of…
We propose the use of topographic modulation of surfaces to select and localize particles in nematic colloids. By considering convex and concave deformations of one of the confining surfaces we show that the colloid-flat surface repulsion…
Capillary microflows of liquid crystal phases are central to material, biological and bio-inspired systems. Despite their fundamental and applied significance, a detailed understanding of the stationary behaviour of nematic liquid crystals…
Model chains are studied via Monte Carlo simulations which are deposited with a fixed flux on a substrate. They may represent, e.g., stiff lipophilic chains with an head group and tail groups mimicking the alkyl chain. After some subsequent…
We investigate the self-organization of a binary mixture of similar sized rods and dipolar soft spheres by means of Monte-Carlo simulations. We model the interparticle interactions by employing anisotropic Gay-Berne, dipolar and soft-sphere…
The optical polarimetry technique is used to explore molecular ordering of nematic liquid crystals 5FPFFPP3 embedded in parallel cylindrical channels of alumina membranes with pore walls covered by a SE-1211 polymer film enhancing normal…
Planar brushes of flexible, semiflexible and rodlike diblock polyampholytes are studied using molecular dynamics simulations and scaling analysis in a wide range of the grafting density. Simulations show linear dependence of the average…
Using nCB films adsorbed on MoS 2 substrates studied by x-ray diffraction, optical microscopy and Scanning Tunneling Microscopy, we demonstrate that ordered interfaces with well-defined orientations of adsorbed dipoles induce planar…
We use an elastic model to explore faceting of solid-wall vesicles with elastic heterogeneities. We show that faceting occurs in regions where the vesicle wall is softer, such as areas of reduced wall thicknesses or concentrated in…