Related papers: Entropy-driven phase transition in a system of lon…
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…
The phase transition occurring in a square 2-D spin lattice governed by an anisotropic Heisenberg Hamiltonian has been studied according to two recently proposed methods. The first one, the Dressed Cluster Method, provides excellent…
We study the formation of an electronic nematic phase characterized by a broken point-group symmetry in interacting fermion systems within the weak coupling theory. As a function of interaction strength and chemical potential, the phase…
The equilibrium phase behavior of microphase-forming systems is notoriously difficult to obtain because of the extended metastability of their modulated phases. In this paper we present a systematic simulation methodology for studying…
We determine the asymptotic behavior of the entropy of full coverings of a $L \times M$ square lattice by rods of size $k\times 1$ and $1\times k$, in the limit of large $k$. We show that full coverage is possible only if at least one of…
This thesis can be divided into two independent parts. In the first part of this thesis, we focus on studying the kinetic pathways of nucleation in colloidal systems. In Chapter 2, we briefly introduce the relevant theory of nucleation,…
Two known distinct examples of one-dimensional systems which are known to exhibit a phase transition are critically examined: (A) a lattice model with harmonic nearest-neighbor elastic interactions and an on-site Morse potential, and (B)…
The isotropic to nematic transition in a system of soft spherocylinders is studied by means of grand canonical Monte Carlo simulations. The probability distribution of the particle density is used to determine the coexistence density of the…
We conducted replica exchange Monte Carlo simulations to investigate the phase diagram of identical hard rhombi systems in two dimensions. The rhombi shape varies from nearly square-like, as their minor angle a approaches 90 degrees, to…
Lattice models exhibit significant potential in investigating phase transitions, yet they encounter numerous computational challenges. To address these issues, this study introduces a Monte Carlo-based approach that transforms lattice…
Two coarse-grained models for polymer chains in dense glass-forming polymer melts are studied by computer simulation: the bond-fluctuation model on a simple cubic lattice, where a bond-length potential favors long bonds, is treated by…
In this work, we study the nematic-isotropic phase transition based on the dynamics of the Landau--De Gennes theory of liquid crystals. At the critical temperature, the Landau--De Gennes bulk potential favors the isotropic phase and nematic…
We present a model of classical hard-core dimers on the square lattice that contains an Ising nematic phase in its phase diagram. We consider a model with an attractive interaction for parallel dimers on a given plaquette of the square…
Active semiflexible filament collectives, ranging from motor-driven cytoskeletal filaments to slender organisms such as cyanobacteria and worm aggregates, abound in nature. Yet how activity and flexibility jointly govern their organization,…
We investigated the nematic to smectic transition undergone by parallel hard spherocylinders in the framework provided by the residual multi-particle entropy (RMPE) formalism. The RMPE is defined as the sum of all contributions to the…
When non-adsorbing polymers are added to an isotropic suspension of rod-like colloids, the colloids effectively attract each other via depletion forces. We performed Monte Carlo simulations to study the phase diagram of such rod-polymer…
We construct a phenomenological Landau-de Gennes theory for hard colloidal rods by performing an order parameter expansion of the chemical-potential dependent grand potential. By fitting the coefficients to known results of Onsager theory,…
The $k$-NN hard core lattice gas model on a square lattice, in which the first $k$ next nearest neighbor sites of a particle are excluded from being occupied by another particle, is the lattice version of the hard disc model in two…
The phase behavior of the lattice restricted primitive model (RPM) for ionic systems with additional short-range nearest neighbor (nn) repulsive interactions has been studied by grand canonical Monte Carlo simulations. We obtain a rich…
The theory of nematic-smectic phase transition in the system of uniform semi-flexible chains with hard-core repulsion is presented. Both the general density-functional formalism the tube-model calculation show that the flexibility of the…