Related papers: Phase diagram of two-dimensional hard ellipses
In this work a replica exchange Monte Carlo scheme which considers an extended isobaric-isothermal ensemble with respect to pressure is applied to study hard spheres (HS). The idea behind the proposal is expanding volume instead of…
We investigate the isotropic-to-nematic phase transition in systems of hard helical particles, using Onsager theory and Monte Carlo computer simulations. Motivation of this work resides in the ubiquity of the helical shape motif in many…
We formulate the scaled particle theory for a general mixture of hard isosceles triangles and calculate different phase diagrams for the one-component fluid and for certain binary mixtures. The fluid of hard triangles exhibits a complex…
We present the phase diagram of the $S=1/2$ Heisenberg model on the two leg ladder with cyclic four spin exchange, determined by a combination of Exact Diagonalization and Density Matrix Renormalization Group techniques. We find six…
Solid-solid collapse transition in open framework structures is ubiquitous in nature. The real difficulty in understanding detailed microscopic aspects of such transitions in molecular systems arises from the interplay between different…
In this paper we investigate the phase diagram of a dumbbell model composed of two hard-core soft-corona beads through $NpT$ simulations. This particular system was chosen due to its ability to exhibit a diverse range of stripe patterns.…
We study the phase diagram of a system of $2\times2\times2$ hard cubes on a three dimensional cubic lattice. Using Monte Carlo simulations, we show that the system exhibits four different phases as the density of cubes is increased:…
Liquid crystals in two dimensions do not support long-ranged nematic order, but a quasi-nematic phase where the orientational correlations decay algebraically is possible. The transition from the isotropic to the quasi-nematic phase can be…
We explore the link between the melting scenarios of two-dimensional systems of hard disks and squares through replica-exchange Monte Carlo simulations of hard superdisks. The well-known melting scenarios are observed in the disk and square…
Using numerical techniques and asymptotic expansions we obtain the phase diagram of a paradigmatic model of Coulomb frustrated phase separation in systems with negative short-range compressibility. The transition from the homogeneous phase…
A system of hard rectangles of size $m\times mk$ on a square lattice undergoes three entropy driven phase transitions with increasing density for large enough aspect ratio $k$: first from a low density isotropic to an intermediate density…
We consider the weakly first order phase transition between the isotropic and ordered phases of nematics in terms of the behavior of topological line defects. Analytical and Monte Carlo results are presented for a new coarse-grained lattice…
In this paper, we discuss the equilibrium phases and collapse transitions of a lyotropic nematic gel immersed in an isotropic solvent. A nematic gel consists of a cross-linked polymer network with rod-like molecules embedded in it. Upon…
We investigate the phase behavior of a system of hard equilateral and right-angled triangles in two dimensions using Monte Carlo simulations. Hard equilateral triangles undergo a continuous isotropic-triatic liquid crystal phase transition…
Recent advances in Generalized Ensemble simulations and microcanonical analysis allowed the investigation of structural transitions in polymer models over a broad range of local bending and torsion strengths. It is reasonable to argue that…
We study the two-step spin crossover in a double-layered elastic model based on transition metal complexes each taking high spin (HS) and low spin (LS) states. Here, only the simplest elastic interactions between adjacent molecules are…
The phase diagram of soft spheres with size dispersion has been studied by means of an optimized Monte Carlo algorithm which allows to equilibrate below the kinetic glass transition for all sizes distribution. The system ubiquitously…
High accuracy Monte Carlo study has been performed in the modified planar Lebwohl Lasher model containing and interaction, where and are second and fourth order Legendre polynomial having three-dimensional spin. Weakly First order Nematic…
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…
The phase diagram of a system of monodispersed hard rectangles of size $m\times m k$ on a square lattice is numerically determined for $m=2,3$ and aspect ratio $k= 1,2,\ldots, 7$. We show the existence of a disordered phase, a nematic phase…