Related papers: Molecular model for de Vries type smectic A - smec…
A simple model of dimerizing hard spheres with highly nontrivial fluid-solid phase behaviour is proposed. The model is studied using the recently proposed resummed thermodynamic perturbation theory for central force (RTPT-CF) associating…
An extension to a high-order model for the direct isotropic/smectic-A liquid crystalline phase transition was derived to take into account thermal effects including anisotropic thermal diffusion and latent heat of phase-ordering.…
Soft materials with layered structure such as membranes, block copolymers, and smectics exhibit intriguing morphologies with nontrivial curvatures. We report on restructuring the Gaussian and mean curvatures of smectic A films with free…
In this paper we are interested in the Landau-de Gennes functional introduced to study the transition between the smectic and nematic phases of a liquid crystal. We define a reduced functional by constraining the director field to satisfy 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 have used the density functional theory to study the effect of molecular elongation on the isotropic-nematic, isotropic-smectic A and nematic-smectic A phase transitions of a fluid of molecules interacting via the Gay-Berne…
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…
Extensive molecular dynamics simulations show that a short-range central potential, suited to model C60, undergoes a high temperature transition to a glassy phase characterized by the positional disorder of the constituent particles.…
Even though our theoretical understanding of dendritic solidification is relatively well developed, our current ability to model this process quantitatively remains extremely limited. This is due to the fact that the morphological…
Compared to pure fluids, binary mixtures display a very diverse phase behavior, which depends sensitively on the parameters of the microscopic potential. Here we investigate the phase diagrams of simple model mixtures by use of a…
We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of…
A microscopic model of the lipid membrane is constructed that provides analytically tractable description of the physical mechanism of the first order liquid-gel phase transition. We demonstrate that liquid-gel phase transition is…
We present a tensor-based finite element scheme for a smectic-A liquid crystal model. We propose a simple C\'ea-type finite element projection in the linear case and prove its quasi-optimal convergence. Special emphasis is put on the…
We consider a system of spherical particles interacting by means of a pair potential equal to a finite constant for interparticle distances smaller than the sphere diameter and zero outside. The model may be a prototype for the interaction…
Soft modulated phases have been shown to undergo complex morphological transitions, in which layer remodeling induced by mean and Gaussian curvatures plays a major role. This is the case in smectic films under thermal treatment, where focal…
Whether the glass transition is caused by an underlying singularity or is a purely kinetic phenomenon is a significant outstanding question. Studying an atomistic glass former, we introduce a sampling method to access temperatures…
The contribution of the smectic-nematic interface to the surface energy of a nematic liquid crystal sample is analyzed. By means of a simple model it is shown that the surface energy depends on the thickness of the region over which the…
We use Monte Carlo techniques and analytical methods to study the phase diagram of the M--component Widom-Rowlinson model on the bcc-lattice: there are M species all with the same fugacity z and a nearest neighbor hard core exclusion…
The Landau-de Gennes model of liquid crystals is a functional acting on wave functions (order parameters) and vector fields (director fields). In a specific asymptotic limit of the physical parameters, we construct critical points such that…
Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…