Related papers: Entropy driven formation of Smectic C in system of…
Recent experiments indicate that doping low concentrations of bent-core molecules into calamitic smectic solvents can induce anticlinic and biaxial smectic phases. We have carried out Monte Carlo (MC) simulations of mixtures of rodlike…
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…
We present an experimental realization of the collective trapping phase transition [Kaiser et al., PRL 108, 268307 (2012)], using motile polar granular rods in the presence of a V-shaped obstacle. We offer a theory of this transition based…
We develop the first comprehensive approach to model associating fluids with small bond angles using Wertheim's perturbation theory. We show theoretically and through monte carlo simulations that as bond angle is varied various modes of…
Many soft-matter and biophysical systems are composed of monomers which reversibly assemble into rod-like aggregates. The aggregates can then order into liquid-crystal phases if the density is high enough, and liquid-crystal ordering…
Many problems in materials science and biology involve particles interacting with strong, short-ranged bonds, that can break and form on experimental timescales. Treating such bonds as constraints can significantly speed up sampling their…
Single molecular magnet (SMM) like paramagnetic molecules interacting with the ferromagnetic electrodes of a magnetic tunnel junction (MTJ) produce a new system that differs dramatically from the properties of isolated molecules and…
Reinforcement of elastomers by colloidal nanoparticles is an important application where microstructure needs to be understood - and if possible controlled - if one wishes to tune macroscopic mechanical properties. Here the…
Active droplets undergoing micellar solubilization can self-propel themselves by emitting filled micelles from their surface and are by nature anti-chemotactic. These droplets get repelled by their own trail of filled micelles or by other…
Recent experimental discoveries of novel nematic types with polar order, including ferroelectric nematic and splay nematic have brought the resurgence of the interest in polar and modulated phases. One of the most important factors that is…
Aggregation processes in systems of planar macromolecules and colloids drive a broad range of phenomena in natural systems and soft materials. Depending on chemical architecture, intermolecular interactions in these systems may favor…
Small-angle neutron scattering (SANS) profiles revealed the existence of magnetic textures like liquid crystals in the low-temperature helical phase of Fe0.7Co0.3Si, isomorphous of MnSi.
We have carried out extensive Monte Carlo simulations of the fusion of tense apposed bilayers formed by amphiphilic molecules within the framework of a coarse grained lattice model. The fusion pathway differs from the usual stalk mechanism.…
A crystal lattice, when confined to the surface of a cylinder, must have a periodic structure that is commensurate with the cylinder circumference. This constraint can frustrate the system, leading to oblique crystal lattices or to…
Motivated by recent experimental development, we investigate spin-orbit coupled repulsive Fermi atoms in a one-dimensional optical lattice. Using the density-matrix renormalization group method, we calculate momentum distribution function,…
We use computer simulations to study the phase behaviour for hard, right rhombic prisms as a function of the angle of their rhombic face (the "slant" angle). More specifically, using a combination of event-driven molecular dynamics…
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the development of Monte Carlo algorithms to accelerate equilibration…
We analyse the atomic state obtained by photo-dissociation of a molecular Bose-Einstein-condensate. This process is equivalent to down-conversion in quantum optics where it is responsible for squeezing of the field amplitudes. Monte Carlo…
We performed Monte Carlo simulations of systems of wedge-shaped objects formed from Gay-Berne ellipsoids joined to Lennard-Jones spheres. We studied two different wedge shapes, one more asymmetric than the other. The bend and splay…
This chapter is devoted to the computation of equilibrium (thermodynamic) properties of quantum systems. In particular, we will be interested in the situation where the interaction between particles is so strong that it cannot be treated as…