Related papers: Entropy driven formation of Smectic C in system of…
Monte Carlo simulations of the colloidal epitaxy of hard spheres (HSs) on a square pattern have been performed. This is an extension of previous simulations; we observed a shrinking intrinsic stacking fault running in an oblique direction…
A large number of symmetry-protected topological (SPT) phases have been hypothesized for strongly interacting spin-1/2 systems in one dimension. Realizing these SPT phases, however, often demands fine-tunings hard to reach experimentally.…
Spin crossover molecules have recently emerged as a family of compounds potentially useful for implementing molecular spintronics devices. The calculations of the electronic properties of such molecules is a formidable theoretical challenge…
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…
The effect of rough walls on the phase behaviour of a confined liquid crystal (LC) fluid is studied using constant pressure Monte Carlo simulations. The LC is modelled as a fluid of soft ellipsoidal molecules and the rough walls are…
In this paper, a three-dimensional lattice model based on the Monte Carlo approach is presented. This model is developed to investigate the kinetics of morphology change during phase separation in nonstoichiometric Si oxide (SiOx, x < 2)…
We report results of computer simulations of two-dimensional hard disks confined within a quasi one-dimensional ``hard-wall'' channel, a few atomic radii wide. Starting from a commensurate triangular solid a rescaling of the system size…
A binary mixture of particles interacting with spherically-symmetric potentials leading to microsegregation is studied by theory and molecular dynamics (MD) simulations. We consider spherical particles with equal diameters and volume…
We report the nematic and smectic ordering in a new aqueous suspension of monolayer $\alpha$-Zirconium phosphate platelets possessing a high polydispersity in diameter but uniform thickness. We observe an isotropic--nematic transition as…
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…
We develop a theory of Smectic A - Smectic C phase transition with anomalously weak smectic layer contraction. We construct a phenomenological description of this transition by generalizing the Chen-Lubensky model. Using a mean-field…
Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…
Monte-Carlo simulations and small-angle x-ray scattering experiments were used to determine the phase diagram of aqueous dispersions of titratable nano-colloids with a moderate size polydispersity over a broad range of monovalent salt…
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 effect of short chain grafting on the liquid crystalline (LC) ordering of nano-crystals is investigated using molecular dynamics simulations of a coarse-grained grafted nano-rod model. Monodisperse nano-rods, with aspect ratios typical…
We study the smectic AC transition in anisotropic and uniaxial disordered environments, e.g., aerogel with an external field. We find very strange behavior of translational correlations: the low-temperature, lower-symmetry Smectic C phase…
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via the application of the lever rule, where an assigned molar…
We study structural phase transition of polymer-grafted colloidal particles by Monte Carlo simulations on hard spherical particles. The interaction potential, which has a weak repulsive step outside the hard core, was validated with use of…
We study a LiCs strongly-interacting molecular gas loaded into an one-dimensional optical lattice at quarter filling. The molecules are in the lowest electronic and vibrational state, $X^{1}\Sigma$ ($\nu=0$). Due to the large intermolecular…
A surface model on compartmentalized spheres is studied by using the Monte Carlo simulation technique with dynamical triangulations. We found that the model exhibits a variety of phases: the spherical phase, the tubular phase, the planar…