Related papers: Formation of the Smectic-B Crystal from a Simple M…
A comprehensive modeling and simulation study of the first-order isotropic/smectic-A transition is presented and applied to phase diagram computation and two-dimensional spherulite growth. An approach based on nonlinear optimization, that…
The structure of a molecular liquid, in both the nematic liquid crystalline and isotropic phases, around a cylindrical macroparticle, is studied using density functional theory. In the nematic phase the structure of the fluid is highly…
The emergence of a magnetic skyrmion crystal in a nonsymmorphic lattice system with the screw symmetry is numerically investigated. By performing the simulated annealing for a layered spin model with the isotropic exchange interaction and…
Hard spherocylinders (cylinders of length $L$ and diameter $D$ capped at both ends with two hemispheres) provide a suitable model for investigating entropy-driven, mesophase formations in real colloidal fluids that are composed of rigid…
The pressure-temperature phase diagram of a one-component system, with particles interacting through a spherically symmetric pair potential in two dimensions is studied. The interaction consists of a hard core plus an additional repulsion…
We have studied, using molecular dynamics simulations, the pressure-induced melting in a monolayer of soft repulsive spherocylinders whose centers of mass are constrained to move on the surface of a sphere. We show that the orientational…
We investigate the connection between the transport properties and the thermodynamics of electronic systems with a tendency to form broken-symmetry mesophases evocative of the physics of liquid crystals. Through a hydrodynamic approach to…
We model a melt of monodisperse side-chain liquid crystalline polymers as a melt of comb copolymers in which the side groups are rod-coil diblock copolymers. We consider both excluded volume and Maier-Saupe interactions. The first acts…
Structural studies by synchrotron x-ray diffraction on two main-chain smectic-C elastomers reveal the presence of two different relaxation mechanisms in these systems at low and high strains. At low strains, the smectic layers are…
Aqueous solutions of disodium cromoglycate (DSCG), a representative model system for chromonic liquid crystals, exhibit temperature- and concentration-dependent phase behaviors spanning isotropic, nematic, and columnar phases, as well as…
A simple monatomic system in two dimensions with a double-well interaction potential is investigated in a wide range of temperature by molecular dynamics simulation. The system is melted and equilibrated well above the melting temperature,…
We have prepared a homologous series of filamentous viruses with varying contour length using molecular cloning techniques. These viruses are monodisperse enough to form a stable smectic phase. Two systems are studied. The first system…
We present a theoretical model which describes the polarization modulated and layer undulated structure of the B7 phase and gives the phase transition from the synclinic ferroelectric B2 phase to the B7 phase as observed experimentally. The…
Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different…
We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor diamond and simple cubic lattice ground states, respectively,…
In this work, a theoretical study of phase equilibrium in mixtures of a calamitic nematic liquid crystal and hard spherical nanoparticles is presented. A mean-field thermodynamic model is used, where the interactions are considered to be…
The design of an experiment on the spontaneous crystallization of a laser-cooled, but thermal atomic cloud into a hexagonally structured phase is discussed. Atomic interaction is mediated by the dipole potential of an optical lattice formed…
The self-assembly of binary nanoparticle superlattices from colloidal mixtures is a promising method for the fabrication of complex colloidal co-crystal structures. However, binary mixtures often form amorphous or metastable phases instead…
We present computer simulations of a system of purely repulsive soft colloidal particles interacting via the Hertz potential and constrained to a two-dimensional plane. This potential describes the elastic interaction of weakly deformable…
We present theory and simulation of simultaneous chemical demixing and phase ordering in a polymer-liquid crystal mixture in conditions where isotropic-isotropic phase separation is metastable with respect to isotropic-nematic phase…