Related papers: Hidden scale invariance in the Gay-Berne model. II…
A novel phase field method is proposed to model the continuous transition of binary fluids exhibiting temperature sensitive miscibility gap, from immiscible state to miscible state via partially miscible states. The model is employed to…
The row model for frustrated XY spins on a triangular lattice in 2D is used to study incommensurate{IC}) spiral and commensurate{C} antiferromagnetic (AF) phases, in the regime where a C-IC transition occurs. Using fluctuating boundary…
Recently, Tavarone et al. (J. Chem. Phys. 143, 114505 (2015)) discussed phase behavior of zig-zag and bow-shaped particles composed of three needles. The authors presented very interesting results of extensive Monte Carlo simulations with…
Systems of particles interacting via inverse-power law potentials have an invariance with respect to changes in length and temperature, implying a correspondence in the dynamics and thermodynamics between different `isomorphic' sets of…
Using computer simulations, we studied the diffusion and structural relaxation in equilibrium smectic liquid crystal bulk phases of parallel hard spherocylinders. These systems exhibit a non-Gaussian layer-to-layer diffusion due to the…
We use lattice Boltzmann simulations of the Beris--Edwards formulation of nematodynamics to probe the response of a nematic liquid crystal with conflicting anchoring at the boundaries under shear and Poiseuille flow. The geometry we focus…
Simulations of nematic-isotropic transition of liquid crystals in two dimensions are performed using an O(2) vector model characterised by non linear nearest neighbour spin interaction governed by the fourth Legendre polynomial $P\_4$. The…
Dynamical heterogeneity in a system of Gay-Berne ellipsoids near its isotropic-nematic (I-N) transition and also in an equimolar mixture of Lennard-Jones spheres and Gay-Berne ellipsoids in deeply supercooled regime is probed by the time…
Linear polymers and other connected "line liquids" exhibit a coupling between density and equilibrium nematic order on the macroscopic level that gives rise to a Meyer-de Gennes vectorial conservation law. Nevertheless, isotropic linear…
Using particle-resolved molecular-dynamics simulations, we compute the phase diagram for soft repulsive spherocylinders confined on the surface of a sphere. While crystal (K), smectic (Sm), and isotropic (I) phases exhibit a stability…
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be…
Many bent-core nematic liquid crystals exhibit unusual physical properties due to the presence of smectic clusters, known as "cybotactic" clusters in the nematic phase. Effect of these clusters on complex shear modulus ($G^*(\omega)$) of…
Ginzburg-Landau-de Gennes -type covariant theories are extensively used in connection with twist grain boundary (TGB) phases of chiral smectogens. We analyze the stability conditions for the linear, covariant elasticity theory of smectic-C…
We have used an extended Scaled-Particle Theory that incorporates four-body correlations through the fourth-order virial coefficient to analyse the orientational properties of a fluid of hard right-angle triangles. This fluid has been…
The recent theoretical prediction by Maimbourg and Kurchan [arXiv:1603.05023] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension $d$ goes to infinity is…
We present computer simulations of the vapour-nematic interface of the Gay-Berne model. We considered situations which correspond to either prolate or oblate molecules. We determine the anchoring of the nematic phase and correlate it with…
A multiscale asymptotic homogenization method for periodic microstructured materials in presence of thermoelasticity with periodic spatially dependent one relaxation time is introduced. The asymptotic expansions of the micro-displacement…
The sliding columnar phase is a new liquid-crystalline phase of matter composed of two-dimensional smectic lattices stacked one on top of the other. This phase is characterized by strong orientational but weak positional correlations…
Molecular Dynamic and Monte Carlo studies are performed in a family of core-softened (CS) potential, composed by two length scales: a repulsive shoulder at short distances and the another a variable scale, that can be repulsive or strongly…
The problem of the gas-liquid heterophase fluctuations of a fluid within the critical and supercritical regions is revisited. To describe the thermodynamics and structure of the heterophase fluid, the mesoscopic equation of state is…