Phase diagram of a bidispersed hard rod lattice gas in two dimensions

We obtain, using extensive Monte Carlo simulations, virial expansion and a high-density perturbation expansion about the fully packed monodispersed phase, the phase diagram of a system of bidispersed hard rods on a square lattice. We show numerically that when the length of the longer rods is $7$, two continuous transitions may exist as the density of the longer rods in increased, keeping the density of shorter rods fixed: first from a low-density isotropic phase to a nematic phase, and second from the nematic to a high-density isotropic phase. The difference between the critical densities of the two transitions decreases to zero at a critical density of the shorter rods such that the fully packed phase is disordered for any composition. When both the rod lengths are larger than $6$, we observe the existence of two transitions along the fully packed line as the composition is varied. Low-density virial expansion, truncated at second virial coefficient, reproduces features of the first transition. By developing a high-density perturbation expansion, we show that when one of the rods is long enough, there will be at least two isotropic-nematic transitions along the fully packed line as the composition is varied.Comment: 7 pages, 4 figure

Bethe approximation for a system of hard rigid rods: the random locally tree-like layered lattice

We study the Bethe approximation for a system of long rigid rods of fixed length k, with only excluded volume interaction. For large enough k, this system undergoes an isotropic-nematic phase transition as a function of density of the rods. The Bethe lattice, which is conventionally used to derive the self-consistent equations in the Bethe approximation, is not suitable for studying the hard-rods system, as it does not allow a dense packing of rods. We define a new lattice, called the random locally tree-like layered lattice, which allows a dense packing of rods, and for which the approximation is exact. We find that for a 4-coordinated lattice, k-mers with k>=4 undergo a continuous phase transition. For even coordination number q>=6, the transition exists only for k >= k_{min}(q), and is first order.Comment: 10 pages, 10 figure

Self-avoiding walks on a bilayer Bethe lattice

Artículo finalmente publicado en: Journal of Statistical Mechanics: Theory and Experiment; 2014; 4-2014; 1-16We propose and study a model of polymer chains in a bilayer. Each chain is confined in one of the layers and polymer bonds on first neighbor edges in different layers interact. We also define and comment results for a model with interactions between monomers on first neighbor sites of different layers. The thermodynamic properties of the model are studied in the grand-canonical formalism and both layers are considered to be Cayley trees. In the core region of the trees, which we may call a bilayer Bethe lattice, we find a very rich phase diagram in the parameter space defined by the two activities of monomers and the Boltzmann factor associated to the interlayer interaction between bonds or monomers. Beside critical and coexistence surfaces, there are tricritical, bicritical and critical endpoint lines, as well as higher order multicritical points.http://iopscience.iop.org/1742-5468/2014/4/P04002/articlesubmittedVersionFil: Serra, Pablo. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina.Fil: Serra, Pablo. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Física Enrique Gaviola; Argentina.Fil: Serra, Pablo. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina.Fil: Stilck, Jürgen F. Universidade Federal Fluminense. Instituto de Física; Brazil.Fil: Stilck, Jürgen F. Institute of Science and Technology for Complex Systems; Brazil.Física de los Materiales Condensado

Solution on the Bethe lattice of a hard core athermal gas with two kinds of particles

Athermal lattice gases of particles with first neighbor exclusion have been studied for a long time as simple models exhibiting a fluid-solid transition. At low concentration the particles occupy randomly both sublattices, but as the concentration is increased one of the sublattices is occupied preferentially. Here we study a mixed lattice gas with excluded volume interactions only in the grand-canonical formalism with two kinds of particles: small ones, which occupy a single lattice site and large ones, which occupy one site and its first neighbors. We solve the model on a Bethe lattice of arbitrary coordination number $q$. In the parameter space defined by the activities of both particles. At low values of the activity of small particles ($z_1$) we find a continuous transition from the fluid to the solid phase as the activity of large particles ($z_2$) is increased. At higher values of $z_1$ the transition becomes discontinuous, both regimes are separated by a tricritical point. The critical line has a negative slope at $z_1=0$ and displays a minimum before reaching the tricritical point, so that a reentrant behavior is observed for constant values of $z_2$ in the region of low density of small particles. The isobaric curves of the total density of particles as a function of $z_1$ (or $z_2$) show a minimum in the fluid phase.Comment: 18 pages, 5 figures, 1 tabl

Entropy of polydisperse chains: solution on the Bethe lattice

We consider the entropy of polydisperse chains placed on a lattice. In particular, we study a model for equilibrium polymerization, where the polydispersivity is determined by two activities, for internal and endpoint monomers of a chain. We solve the problem exactly on a Bethe lattice with arbitrary coordination number, obtaining an expression for the entropy as a function of the density of monomers and mean molecular weight of the chains. We compare this entropy with the one for the monodisperse case, and find that the excess of entropy due to polydispersivity is identical to the one obtained for the one-dimensional case. Finally, we obtain an exponential distribution of molecular weights.Comment: 5 pages, 2 figures. Reference place

Semi-flexible trimers on the square lattice in the full lattice limit

Trimers are chains formed by two lattice edges, and therefore three monomers. We consider trimers placed on the square lattice, the edges belonging to the same trimer are either colinear, forming a straight rod with unitary statistical weight, or perpendicular, a statistical weight $\omega$ being associated to these angular trimers. The thermodynamic properties of this model are studied in the full lattice limit, where all lattice sites are occupied by monomers belonging to trimers. In particular, we use transfer matrix techniques to estimate the entropy of the system as a function of $\omega$. The entropy $s(\omega)$ is a maximum at $\omega=1$ and our results are compared to earlier studies in the literature for straight trimers ($\omega=0$), angular trimers ($\omega \to \infty$) and for mixtures of equiprobable straight and angular trimers ($\omega=1$).Comment: 6 pages, 4 figure

Particle-wall collision statistics in the open circular billiard

In the open circular billiard particles are placed initially with a uniform distribution in their positions inside a planar circular vesicle. They all have velocities of the same magnitude, whose initial directions are also uniformly distributed. No particle-particle interactions are included, only specular elastic collisions of the particles with the wall of the vesicle. The particles may escape through an aperture with an angle $2\delta$. The collisions of the particles with the wall are characterized by the angular position and the angle of incidence. We study the evolution of the system considering the probability distributions of these variables at successive times $n$ the particle reaches the border of the vesicle. These distributions are calculated analytically and measured in numerical simulations. For finite apertures $\delta<\pi/2$, a particular set of initial conditions exists for which the particles are in periodic orbits and never escape the vesicle. This set is of zero measure, but the selection of angular momenta close to these orbits is observed after some collisions, and thus the distributions of probability have a structure formed by peaks. We calculate the marginal distributions up to $n=4$, but for $\delta>\pi/2$ a solution is found for arbitrary $n$. The escape probability as a function of $n^{-1}$ decays with an exponent 4 for $\delta>\pi/2$ and evidences for a power law decay are found for lower apertures as well.Comment: 11 pages, 14 figures. Typos corrected and two new figures added, figure captions changed and additional discussions added. Version accepted for publication in Physica

Solution of an associating lattice gas model with density anomaly on a Husimi lattice

We study a model of a lattice gas with orientational degrees of freedom which resemble the formation of hydrogen bonds between the molecules. In this model, which is the simplified version of the Henriques-Barbosa model, no distinction is made between donors and acceptors in the bonding arms. We solve the model in the grand-canonical ensemble on a Husimi lattice built with hexagonal plaquettes with a central site. The ground-state of the model, which was originally defined on the triangular lattice, is exactly reproduced by the solution on this Husimi lattice. In the phase diagram, one gas and two liquid (high density-HDL and low density-LDL) phases are present. All phase transitions (GAS-LDL, GAS-HDL, and LDL-HDL) are discontinuous, and the three phases coexist at a triple point. A line of temperatures of maximum density (TMD) in the isobars is found in the metastable GAS phase, as well as another line of temperatures of minimum density (TmD) appears in the LDL phase, part of it in the stable region and another in the metastable region of this phase. These findings are at variance with simulational results for the same model on the triangular lattice, which suggested a phase diagram with two critical points. However, our results show very good quantitative agreement with the simulations, both for the coexistence loci and the densities of particles and of hydrogen bonds. We discuss the comparison of the simulations with our results.Comment: 12 pages, 5 figure