TITLE

The isotropic-to-nematic phase transition in hard helices: Theory and simulation

AUTHOR(S)
Frezza, Elisa; Ferrarini, Alberta; Kolli, Hima Bindu; Giacometti, Achille; Cinacchi, Giorgio
PUB. DATE
April 2013
SOURCE
Journal of Chemical Physics;Apr2013, Vol. 138 Issue 16, p164906
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We investigate the isotropic-to-nematic phase transition in systems of hard helical particles, using Onsager theory and Monte Carlo computer simulations. Motivation of this work resides in the ubiquity of the helical shape motif in many natural and synthetic polymers, as well as in the well known importance that the details of size and shape have in determining the phase behaviour and properties of (soft) condensed matter systems. We discuss the differences with the corresponding spherocylinder phase diagram and find that the helix parameters affect the phase behaviour and the existence of the nematic phase. We find that for high helicity Onsager theory significantly departs from numerical simulations even when a modified form of the Parsons-Lee rescaling is included to account for the non-convexity of particles.
ACCESSION #
87372746

 

Related Articles

  • The order parameter and susceptibility of the 3D Ising-like system in an external field near the phase transition point. Kozlovskii, M. P.; Romanik, R. V. // Condensed Matter Physics;Dec2010, Vol. 13 Issue 4, p1 

    The present work is devoted to the investigation of the 3D Ising-like model in the presence of an external field in the vicinity of critical point. The method of collective variables is used. General expressions for the order parameter and susceptibility are calculated as functions of...

  • Tricritical point of the three-dimensional Potts model ( q = 4) with quenched nonmagnetic disorder. Murtazaev, A.; Babaev, A. // JETP Letters;Jul2014, Vol. 99 Issue 9, p535 

    The effect of quenched nonmagnetic impurities on the phase transitions in the three-dimensional Potts model with the number of spin states q = 4 for the case of the simple cubic lattice is studied using the Monte Carlo method. The phase transitions in this model are studied for spin density p...

  • Phase Diagram of the S = 1 Bilinear Biquadratic Model. Harada, Kenji; Kawashima, Naoki; Troyer, Matthias // AIP Conference Proceedings;2006, Vol. 850 Issue 1, p1085 

    The S = 1 bilinear biquadratic model is an effective spin model for 23Na atoms in an optical lattice. We study the ground state in one and two dimensions through quantum Monte Carlo simulations using a non-binary loop algorithm which was recently proposed. In one dimension, the critical...

  • Revisiting the phase diagram of hard ellipsoids. Odriozola, Gerardo // Journal of Chemical Physics;4/7/2012, Vol. 136 Issue 13, p134505 

    In this work, the well-known Frenkel-Mulder phase diagram of hard ellipsoids of revolution [D. Frenkel and B. M. Mulder, Mol. Phys. 55, 1171 (1985)] is revisited by means of replica exchange Monte Carlo simulations. The method provides good sampling of dense systems and so, solid phases can be...

  • Phase diagram of hard snowman-shaped particles. Dennison, Matthew; Milinkovic, Kristina; Dijkstra, Marjolein // Journal of Chemical Physics;7/28/2012, Vol. 137 Issue 4, p044507 

    We present the phase diagram of hard snowman-shaped particles calculated using Monte Carlo simulations and free energy calculations. The snowman particles consist of two hard spheres rigidly attached at their surfaces. We find a rich phase behavior with isotropic, plastic crystal, and aperiodic...

  • Monte Carlo simulations of a model two-dimensional, two-patch colloidal particles. Rżysko, W.; Sokołowski, S.; Staszewski, T. // Journal of Chemical Physics;2015, Vol. 143 Issue 6, p1 

    We carried out Monte Carlo simulations of the two-patch colloids in two-dimensions. Similar model investigated theoretically in three-dimensions exhibited a re-entrant phase transition. Our simulations indicate that no re-entrant transition exists and the phase diagram for the system is of a...

  • Study of the Z3 symmetry in QCD at finite temperature and chemical potential using a worm algorithm. Krein, Gastão; Leme, Rafael R.; Woitek, Marcio // AIP Conference Proceedings;Mar2013, Vol. 1520 Issue 1, p367 

    Traditional Monte Carlo simulations of QCD in the presence of a baryon chemical potential are plagued by the complex phase problem and new numerical approaches are necessary for studying the phase diagram of the theory. In this work we consider a Z3 Polyakov loop model for the deconfining phase...

  • Physics of the Jagla model as the liquid-liquid coexistence line slope varies. Jiayuan Luo; Limei Xu; Angell, C. Austen; Stanley, H. Eugene; Buldyrev, Sergey V. // Journal of Chemical Physics;2015, Vol. 142 Issue 22, p1 

    The slope of the coexistence line of the liquid-liquid phase transition can be positive, negative, or zero. All three possibilities have been found in Monte-Carlo simulations of a modified spherically symmetric two-scale Jagla model. Since the liquid-liquid critical point frequently lies in a...

  • Monte Carlo cluster algorithm for fluid phase transitions in highly size-asymmetrical binary mixtures. Ashton, Douglas J.; Liu, Jiwen; Luijten, Erik; Wilding, Nigel B. // Journal of Chemical Physics;11/21/2010, Vol. 133 Issue 19, p194102 

    Highly size-asymmetrical fluid mixtures arise in a variety of physical contexts, notably in suspensions of colloidal particles to which much smaller particles have been added in the form of polymers or nanoparticles. Conventional schemes for simulating models of such systems are hamstrung by the...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics