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

2010/10/06 by L. G. López, D. H. Linares, A. J. Ramírez-Pastor +3
Materials Science · Mathematics · Physics and Astronomy · #Condensed matter physics #Critical point (mathematics) #Geometry #Liquid Crystal Research Advancements #Liquid crystal #Material Dynamics and Properties #Materials science #Mathematical analysis #Mathematical physics #Mathematics #Monte Carlo method #Phase (matter) #Phase diagram #Phase transition #Physics #Quantum mechanics #Renormalization group #Rod #Scaling #Statistical physics #Theoretical and Computational Physics #Tricritical point #cond-mat.stat-mech #physics.chem-ph

paper · pdf · doi:10.1063/1.3496482

published as The Journal of Chemical Physics 133, 134706 (2010) · 12 pages, 10 figures, supplementary information

openalex publication_date 2010/10/06 · arxiv created 2010/10/12 · arxiv updated 2010/10/14 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

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.

Citations