相关论文: Formation of the Smectic-B Crystal from a Simple M…
We propose a continuum tensorial model for chiral smectic C (SmC$^*$) liquid crystals using a tensor-valued order parameter $\mathbf{Q}$ to describe orientational order and a real-valued order parameter $\delta\rho$ to capture layer…
A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…
We formulate the configurational partition function for dendrimers, taking explicit account of their conformations and segmental interactions. Two approximate schemes are presented, one based on the effective dendrimer-dendrimer…
In recent work we revisited the phase diagram of hard ellipsoids of revolution (spheroids) by means of replica exchange Monte Carlo simulations. This was done by setting random initial configurations, and allows to confirm the formation of…
We use computer simulations to investigate how a catalytic reaction in a polymer sol can induce the formation of a polymer gel. To this aim we consider a solution of homopolymers in which freely-diffusing catalysts convert the originally…
In this article we consider systems of parallel hard {\it superellipsoids}, which can be viewed as a possible interpolation between ellipsoids of revolution and cylinders. Superellipsoids are characterized by an aspect ratio and an exponent…
X-shaped liquid crystalline molecules (XLCMs) are obtained by tethering two flexible end A-blocks and two flexible side B-blocks to a rigid backbone (R). A rich array of ordered structures can be formed from XLCMs, driven by the competition…
By employing Molecular Dynamics computer simulations, the phase behavior of systems of rodlike particles with varying degree of internal flexibility has been traced from the perfectly rigid rod limit till very flexible particles, and from…
A two-dimensional system of soft particles interacting via a two-length-scale potential is studied. Density functional theory and Brownian dynamics simulations reveal a fluid phase and two crystalline phases with different lattice spacing.…
The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). We perform molecular dynamics using the recently proposed…
The bent-core liquid crystals (LCs) are highly regarded as the next-generation materials for electro-optic devices. The nematic (N) phase of these LCs possesses highly ordered smectic-like cybotactic clusters which are promising in terms of…
We study smectic-liquid-crystal order in a cell with a heterogeneous substrate imposing surface random positional and orientational pinnings. Proposing a minimal random elastic model, we demonstrate that, for a thick cell, the smectic state…
We formulate a simple Landau type model describing macroscopic behaviour recently discovered new smectic phases composed of achiral bent-shaped molecules. Films of such smectics exhibit three types of ordering related to dipole…
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…
Using a modified Lennard-Jones model for elliptic particles and spherical impurities, we present results of molecular dynamics simulation in two dimensions. In one-component systems of elliptic particles, we find an orientation phase…
Ideal (monodomain) smectic-$A$ elastomers crosslinked in the smectic-$A$ phase are simply uniaxial rubbers, provided deformations are small. From these materials smectic-$C$ elastomers are produced by a cooling through the smectic-$A$ to…
At sufficiently low temperatures and high densities, repulsive spherical particles in two-dimensions (2d) form close-packed structures with six-fold symmetry. By contrast, when the interparticle interaction has an attractive anisotropic…
Recent theories predict that when a supercooled liquid approaches the glass transition, particle clusters with a special "amorphous order" nucleate within the liquid, which lead to static correlations dictating the dramatic slowdown of…
We numerically investigate two-dimensional systems of hard rectangles at constant pressure through extensive hard-particle Monte Carlo simulations. We determine the complete phase diagram as a function of packing fraction and aspect ratio,…
In equilibrium hard-rod fluids, and in effective hard-rod descriptions of anisotropic soft-particle systems, the transition from the isotropic (I) phase to the nematic phase (N) is observed above the rod aspect ratio L/D = 3.70 as predicted…