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

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 Publication date 2009
  fields Physics
and research's language is English




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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.



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115 - L. G. Lopez , D. H. Linares , 2010
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.
The statistical thermodynamics of straight rigid rods of length $k$ on triangular lattices was developed on a generalization in the spirit of the lattice-gas model and the classical Guggenheim-DiMarzio approximation. In this scheme, the Helmholtz free energy and its derivatives were written in terms of the order parameter $delta$, which characterizes the nematic phase occurring in the system at intermediate densities. Then, using the principle of minimum free energy with $delta$ as a parameter, the main adsorption properties were calculated. Comparisons with Monte Carlo simulations and experimental data were performed in order to evaluate the reaches and limitations of the theoretical model.
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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.
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