相关论文: Formation of the Smectic-B Crystal from a Simple M…

We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting via a spherically symmetric potential. Upon isochoric cooling…

We have carried out Monte Carlo simulations of zig-zag shaped molecules where the the molecules is composed of three rigidly linked hard spherocylinder arranged in a zigzag fashion. By varying zigzag angle we have mapped out the whole phase…

Recently, a new class of smectic liquid crystal phases (SmCP phases) characterized by the spontaneous formation of macroscopic chiral domains from achiral bent-core molecules has been discovered. We have carried out Monte Carlo simulations…

Experimental and modeling/simulation studies of phase equilibrium and growth morphologies of novel polymer-dispersed liquid crystal (PDLC) mixtures of PS (polystyrene) and liquid crystals that exhibit a direct isotropic/smectic-A (lamellar)…

Ionic liquid crystals (ILCs) are anisotropic mesogenic molecules which carry charges and therefore combine properties of liquid crystals, e.g., the formation of mesophases, and of ionic liquids, such as low melting temperatures and tiny…

We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liquid state, a low-density porous crystalline phase. Its…

We show that smectic liquid crystals confined in_anisotropic_ porous structures such as e.g.,_strained_ aerogel or aerosil exhibit two new glassy phases. The strain both ensures the stability of these phases and determines their nature. One…

The structure of nematic liquid crystals formed by bent-core mesogens (BCMs) is studied in the context of Monte Carlo simulations of a simple molecular model that captures the symmetry, shape and flexibility of achiral BCMs. The results…

We report a novel kind of dodecagonal quasicrystal that has so far never been observed, nor theoretically predicted. It is composed of axially stacked hexagonal particle layers, with 12-fold rotational symmetry induced by 30 degrees…

A spherocylinder-like molecule with a Lennard-Jones type interaction is proposed as a model of smectic-A (Sm-A) liquid crystals, which can form a free-standing film. By means of Gibbs ensemble simulations, the isotropic, nematic, and Sm-A…

We have used Monte Carlo NPT computer simulations to study a system of spherical fan shaped particles made of three hard discs fused along a common diameter. The calculated equation of state indicates a strong, entropy driven, first order…

We present the phase diagram of a system of mesogenic top-shaped molecules based on the Parsons- Lee density functional theory and Monte Carlo simulation. The molecules are modeled as a hard spherocylinder with a hard sphere embedded in its…

The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…

We report the observation of a doubly-periodic surface defect-pattern in the liquid crystal 8CB, formed during the nematic--smectic A phase transition. The pattern results from the antagonistic alignment of the 8CB molecules, which is…

We explore the phase behavior and structure of orthogonal smectic liquid crystals consisting of bent-core molecules (BCMs) by means of Monte Carlo molecular simulations. A simple athermal molecular model is introduced that describes the…

The phase behavior of the system of parallel rigid triblock copolymers is examined using the second-virial density functional theory. The triblock particle consists of two identical infinitely thin hard rods of finite lengths on the…

The dynamics of active smectic liquid crystals confined on a spherical surface is explored through an active phase field crystal model. Starting from an initially randomly perturbed isotropic phase, several types of topological defects are…

This paper complements a previous study of the isotropic and nematic phases of the Gay-Berne liquid-crystal model [Mehri et al., Phys. Rev. E 105, 064703 (2022)] with a study of its smectic B phase found at high density and low…

Smectic blue phases (BPSm) are new mesophases of thermotropic liquid crystals, which exhibit a double geometrical frustration: the extension of chirality in three spatial dimensions like the classical blue phases, and helical twist…

The short-range order which remains when the isotropic to smectic-A transition is perturbed by a gel of silica nanoparticles (aerosils) has been studied using high-resolution synchrotron x-ray diffraction. The gels have been created…