Related papers: Computing with Liquid Crystal Fingers: Models of g…
A region of a star that is stable to convection according to the Ledoux criterion may nevertheless undergo additional mixing if the mean molecular weight increases with radius. This process is called fingering (thermohaline) convection and…
This paper addresses the numerical computation of critical angles between two convex cones in finite-dimensional Euclidean spaces. We present a novel approach to computing these critical angles by reducing the problem to finding stationary…
We present an approach for rapid conformational analysis of semi-flexible liquid crystals. We use a simple graphical user interface (GUI) tool that leverages rules-based methods for efficient generation of bend-angle distributions, offering…
We propose a highly coarse-grained simulation model for crystalline polymer solids with crystalline lamellar structures. The mechanical properties of a crystalline polymer solid are mainly determined by the crystalline lamellar structures.…
Computational studies of basic models of strongly-correlated electron systems can provide guidance in the search for new materials as well as insight into the physical mechanisms responsible for their properties. Here, we illustrate this by…
We present an accurate Lagrangian method based on vortex particles, level-sets, and immersed boundary methods, for animating the interplay between two fluids and rigid solids. We show that a vortex method is a good choice for simulating…
We initiate a systematic study of tolerant testers of image properties or, equivalently, algorithms that approximate the distance from a given image to the desired property (that is, the smallest fraction of pixels that need to change in…
The effect of surface roughness on the structure of liquid crystalline fluids near solid substrates is studied by Monte Carlo simulations. The liquid crystal is modelled as a fluid of soft ellipsoidal molecules and the substrate is modelled…
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a…
We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…
Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective…
This paper shows how partial differential problems can be solved thanks to cellular computing and an adaptation of the Least Squares Finite Elements Method. As cellular computing can be implemented on distributed parallel architectures,…
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…
A miscut (vicinal) crystal surface can be regarded as an array of meandering but non-crossing steps. Interactions between the steps are shown to induce a faceting transition of the surface between a homogeneous Luttinger liquid state and a…
We demonstrate the realization of (laterally) optically bounded colloidal structures on a liquid-liquid interface of an emulsion droplet. We use DNA tethers to graft the particles to the droplet surface, effectively confining them to a…
Many problems in computational geometry are not stated in graph-theoretic terms, but can be solved efficiently by constructing an auxiliary graph and performing a graph-theoretic algorithm on it. Often, the efficiency of the algorithm…
Cholesteric liquid crystals exhibit great morphological richness of static metastable states. Understanding the transitions between such states is key for the development of switchable devices. We show, using a quasi-one-dimensional model,…
Langevin Dynamics simulations are used to study the effect of shear on a two-dimensional colloidal crystal confined by structured parallel walls. When walls are sheared very slowly, only two or three crystalline layers next to the walls…
Here we review a hybrid lattice Boltzmann algorithm to solve the equations of motion of cholesteric liquid crystals. The method consists in coupling a lattice Boltzmann solver for the Navier-Stokes equation to a finite difference method to…
Detection of crystal structures from particle positions of crystalline assemblies formed in computer simulations is an unsolved problem. The standard protocol, formulated in the reciprocal space, for structure determination from…