The effect of the lateral interactions on the critical behavior of long straight rigid rods on two-dimensional lattices

Using Monte Carlo simulations and finite-size scaling analysis, the critical behavior of attractive rigid rods of length k (k-mers) on square lattices at intermediate density has been studied. A nematic phase, characterized by a big domain of parallel k-mers, was found. This ordered phase is separated from the isotropic state by a continuous transition occurring at a intermediate density \theta_c, which increases linearly with the magnitude of the lateral interactions.Comment: 7 pages, 6 figure

Entropy-driven phase transition in a system of long rods on a square lattice

The isotropic-nematic (I-N) phase transition in a system of long straight rigid rods of length k on square lattices is studied by combining Monte Carlo simulations and theoretical analysis. The process is analyzed by comparing the configurational entropy of the system with the corresponding to a fully aligned system, whose calculation reduces to the 1D case. The results obtained (1) allow to estimate the minimum value of k which leads to the formation of a nematic phase and provide an interesting interpretation of this critical value; (2) provide numerical evidence on the existence of a second phase transition (from a nematic to a non-nematic state) occurring at density close to 1 and (3) allow to test the predictions of the main theoretical models developed to treat the polymers adsorption problem.Comment: 14 pages, 6 figures. Accepted for publication in JSTA

Critical behavior of self-assembled rigid rods on triangular and honeycomb lattices

Using Monte Carlo simulations and finite-size scaling analysis, the critical behavior of self-assembled rigid rods on triangular and honeycomb lattices at intermediate density has been studied. The system is composed of monomers with two attractive (sticky) poles that, by decreasing temperature or increasing density, polymerize reversibly into chains with three allowed directions and, at the same time, undergo a continuous isotropic-nematic (IN) transition. The determination of the critical exponents, along with the behavior of Binder cumulants, indicate that the IN transition belongs to the q=1 Potts universality class.Comment: 6 pages, 5 figure

Critical behavior of long straight rigid rods on two-dimensional lattices: Theory and Monte Carlo simulations

The critical behavior of long straight rigid rods of length $k$ ($k$-mers) on square and triangular lattices at intermediate density has been studied. A nematic phase, characterized by a big domain of parallel $k$-mers, was found. This ordered phase is separated from the isotropic state by a continuous transition occurring at a intermediate density $\theta_c$. Two analytical techniques were combined with Monte Carlo simulations to predict the dependence of $\theta_c$ on $k$, being $\theta_c(k) \propto k^{-1}$. The first involves simple geometrical arguments, while the second is based on entropy considerations. Our analysis allowed us also to determine the minimum value of $k$ ($k_{min}=7$), which allows the formation of a nematic phase on a triangular lattice.Comment: 23 pages, 5 figures, to appear in The Journal of Chemical Physic

Study of the one-dimensional off-lattice hot-monomer reaction model

Hot monomers are particles having a transient mobility (a ballistic flight) prior to being definitely absorbed on a surface. After arriving at a surface, the excess energy coming from the kinetic energy in the gas phase is dissipated through degrees of freedom parallel to the surface plane. In this paper we study the hot monomer-monomer adsorption-reaction process on a continuum (off-lattice) one-dimensional space by means of Monte Carlo simulations. The system exhibits second-order irreversible phase transition between a reactive and saturated (absorbing) phases which belong to the directed percolation (DP) universality class. This result is interpreted by means of a coarse-grained Langevin description which allows as to extend the DP conjecture to transitions occurring in continuous media.Comment: 13 pages, 5 figures, final version to appear in J. Phys.

Determination of the Critical Exponents for the Isotropic-Nematic Phase Transition in a System of Long Rods on Two-dimensional Lattices: Universality of the Transition

Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior and universality for the isotropic-nematic phase transition in a system of long straight rigid rods of length $k$ ($k$-mers) on two-dimensional lattices. The nematic phase, characterized by a big domain of parallel $k$-mers, is separated from the isotropic state by a continuous transition occurring at a finite density. The determination of the critical exponents, along with the behavior of Binder cumulants, indicate that the transition belongs to the 2D Ising universality class for square lattices and the three-state Potts universality class for triangular lattices.Comment: 7 pages, 8 figures, uses epl2.cls, to appear in Europhysics Letter

Phase diagram of self-assembled rigid rods on two-dimensional lattices: Theory and Monte Carlo simulations

Monte Carlo simulations and finite-size scaling analysis have been carried out to study the critical behavior in a two-dimensional system of particles with two bonding sites that, by decreasing temperature or increasing density, polymerize reversibly into chains with discrete orientational degrees of freedom and, at the same time, undergo a continuous isotropic-nematic (IN) transition. A complete phase diagram was obtained as a function of temperature and density. The numerical results were compared with mean field (MF) and real space renormalization group (RSRG) analytical predictions about the IN transformation. While the RSRG approach supports the continuous nature of the transition, the MF solution predicts a first-order transition line and a tricritical point, at variance with the simulation results.Comment: 12 pages, 10 figures, supplementary informatio