Related papers: Surface anchoring on liquid crystalline polymer br…
We investigate the flow of spherical, bulk granular particles down an inclined plane mixed with small-sized spherical lubricant particles using discrete element method simulations. Predefined cohesive interaction is implemented between…
The influence of capillary flow on the alignment of the nematic liquid crystal MBBA on fatty acid Langmuir-Blodgett monolayers was studied by optical second-harmonic generation. The surface dipole sensitivity of the technique allows probing…
Constant pressure Monte Carlo simulations of a coarse grained off-lattice model for monolayers of amphiphilic molecules at the air/water interface are presented. Our study focusses on phase transitions within a monolayer rather than on self…
Consider a graph with a rotation system, namely, for every vertex, a circular ordering of the incident edges. Given such a graph, an angle cover maps every vertex to a pair of consecutive edges in the ordering -- an angle -- such that each…
We undertake the investigation of sheared polymer chains grafted on flat surfaces to model liposomes covered with polyethylene glycol brushes as a case study for the mechanisms of efficient drug delivery in biologically relevant situations,…
We use a continuum, two-fluid approach to study a mixture of two active nematic fluids. Even in the absence of thermodynamically-driven ordering, for mixtures of different activities we observe turbulent microphase separation, where domains…
We study the conformation and scaling properties of a self-avoiding fluid membrane, subject to an osmotic pressure $p$, by means of Monte Carlo simulations. Using finite size scaling methods in combination with a histogram reweighting…
The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…
Bottle brushes are polymeric macromolecules made of a linear polymeric backbone grafted with side chains. The choice of the grafting density {\sigma}g, the length ns the grafted side chains and their chemical nature fully determines the…
Strong anchoring boundary conditions are conventionally modelled by imposing Dirichlet conditions on the order parameter in Landau-de Gennes theory, neglecting the finite surface energy of realistic anchoring. This work revisits the strong…
Mono-layers of stearic and behenic acids deposited with the Langmuir-Blodgett technique, were used as aligning films in nematic liquid crystal cells. During the filling process the liquid crystal adopts a deformed quasi-planar alignment…
Using a combination of analytical theory, Monte Carlo simulations, and three dimensional self-consistent field calculations, we study the equilibrium properties and the switching behavior of adsorption-active polymer chains included in a…
We propose a novel class of responsive polymer brushes, where the effective grafting density can be controlled by external stimuli. This is achieved by using end-grafted polymer chains that have an affinity to the substrate. For…
In the context of Monte Carlo sampling for lattice models, the complexity of the energy landscape often leads to Markov chains being trapped in local optima, thereby increasing the correlation between samples and reducing sampling…
The rheology of molecular brushes remains challenging to control due to the multiple length scales and relaxation processes involved and the lack of direct observation of molecular conformation during flow. We use molecular dynamics…
We study the effect of the presence of a regular substrate pattern on the irreversible adsorption of nanosized and colloid particles. Deposition of disks of radius $r_0$ is considered, with the allowed regions for their center attachment at…
Topological defects, such as disclination lines in nematic liquid crystals, are fundamental to many physical systems and applications. In this work, we study the behavior of nematic disclinations in thin parallel-plate geometries with…
We propose Continual Repeated Annealed Flow Transport Monte Carlo (CRAFT), a method that combines a sequential Monte Carlo (SMC) sampler (itself a generalization of Annealed Importance Sampling) with variational inference using normalizing…
We study a diffuse interface model describing the complex rheology and the interfacial dynamics during phase separation in a polar liquid-crystalline emulsion. More precisely, the physical systems comprises a two-phase mixture consisting in…
The stability of liquid crystal phases in presence of small amount of non-mesogenic impurities is of general interest for a large spectrum of technological applications and in the theories of binary mixtures. Starting from the known phase…