Related papers: Molecular simulation of hierarchical structures in…
Using the classical density functional theory of freezing and Monte Carlo computer simulations, we explore the liquid-crystalline phase behavior of hard rectangles on flat and cylindrical manifolds. Moreover, we study the effect of a static…
We present an experimental study of the surface effects (interactions with the container walls) during the nucleation and growth of smectic B crystals from the nematic in free growth and directional solidification of a mesogenic molecule…
Semiflexible polymers in concentrated lyotropic solution are studied within a bead-spring model by molecular dynamics simulations, focusing on the emergence of a smectic A phase and its properties. We systematically vary the density of the…
Liquid crystals can self-organize into a layered smectic phase. While the smectic layers are typically straight forming a lamellar pattern in bulk, external confinement may drastically distort the layers due to the boundary conditions…
A series of asymmetric dimers with an odd number of atoms in the spacer were found to form different types of twisted structures despite being achiral. The formation of a variety of helical structures is accompanied by a gradual freezing of…
We generalize our previous work on the phase stability and hydrodynamic of polar liquid crystals possessing local uniaxial $C_{\infty v}$-symmetry to biaxial systems exhibiting local $C_{2v}$-symmetry. Our work is motivated by the recently…
We present a Monte Carlo simulation of a polymer nematic for varying volume fractions, concentrating on the structure function of the sample. We achieve nematic ordering with stiff polymers made of spherical monomers that would otherwise…
Ferroelectric nematic liquid crystals are formed by achiral molecules with large dipole moments. Its three-dimensional orientational order is universally described as unidirectionally polar. We demonstrate that the ground state of…
Solitons in liquid crystals have generated considerable interest. Several hypotheses of varying complexity have been advanced to explain how they emerge, and a consensus has not emerged yet about the underlying forces responsible for their…
We present a simplified molecular model of mesogenic dimers consisting of two identical uniaxial mesogenic cores separated by a fixed-length spacer and allowed to assume only two, statistically equivalent, conformations which are non-planar…
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…
We use molecular dynamics simulations to study coarsening dynamics in achiral banana-shaped bent-core liquid crystals following a quench from the high concentration polar smectic (SmX) phase to lower concentrations that favor the exotic…
Using Monte Carlo (MC) computer simulations we explore the self-assembly and ordering behavior of a hybrid, soft magnetic system consisting of small magnetic nano-spheres in a liquid-crystalline (LC) matrix. Inspired by recent experiments…
We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. Homeotropic boundary conditions and strong anchoring create a hedgehog director configuration on the particle surface and in…
There is considerable interest in understanding and controlling topological defects in nematic liquid crystals (LCs). Confinement, in the form of droplets, has been particularly effective in that regard. Here, we employ the Landau-de Gennes…
While performing molecular dynamics simulations of a simple monatomic liquid, we observed the crystallization of a material displaying octagonal symmetry in its simulated diffraction pattern. Inspection of the atomic arrangements in the…
The chiral, heliconical (twist-bend) nematic ground state is reported in an achiral, rigid, bent-core mesogen (UD68). Similar to the nematic twist-bend (NTB) phase observed in bent molecular dimers, the NTB phase of UD68 forms macroscopic,…
Natural bacterial habitats are often complex fluids with viscoelastic and anisotropic responses to stress; for example, they can take the form of liquid crystals (LCs), with elongated microscopic constituents that collectively align while…
We present a Monte Carlo study of external surface anchoring in nematic cells with partially disordered solid substrates, as well as of intrinsic anchoring at free nematic interfaces. The simulations are based on the simple hexagonal…
Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical…