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Register a new userLattice statistical models for the nematic transitions in liquid-crystalline systems
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We investigate the connections between some simple Maier-Saupe lattice models, with a discrete choice of orientations of the microscopic directors, and a recent proposal of a two-tensor formalism to describe the phase diagrams of nematic liquid-crystalline systems. This two-tensor proposal is used to formulate the statistical problem in terms of fully-connected lattice Hamiltonians, with the local nematic directors restricted to the Cartesian axes. Depending on the choice of interaction parameters, we regain all of the main features of the original mean-field two-tensor calculations. With a standard choice of parameters, we obtain the well-known sequence of isotropic, uniaxial, and biaxial nematic structures, with a Landau multicritical point. With another suitably chosen set of parameters, we obtain two tricritical points, according to some recent predictions of the two-tensor calculations. The simple statistical lattice models are quite easy to work with, for all values of parameters, and the present calculations can be carried out beyond the mean-field level.
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We investigate by means of continuum percolation theory and Monte Carlo simulations how spontaneous uniaxial symmetry breaking affects geometric percolation in dispersions of hard rod-like particles. If the particle aspect ratio exceeds about twenty, percolation in the nematic phase can be lost upon adding particles to the dispersion. This contrasts with percolation in the isotropic phase, where a minimum particle loading is always required to obtain system-spanning clusters. For sufficiently short rods, percolation in the uniaxial nematic mimics that of the isotropic phase, where the addition of particles always aids percolation. For aspect ratios between twenty and infinity, but not including infinity, we find re-entrance behavior: percolation in the low-density nematic may be lost upon increasing the amount of nanofillers but can be re-gained by the addition of even more particles to the suspension. Our simulation results for aspect ratios of 5, 10, 20, 50 and 100 strongly support our theoretical predictions, with almost quantitative agreement. We show that a new closure of the connectedness Ornstein-Zernike equation, inspired by Scaled Particle Theory, is more accurate than the Lee-Parsons closure that effectively describes the impact of many-body direct contacts.
Using grand-canonical Monte Carlo simulations, we investigate the phase diagram of hard rods of length $L$ with additional contact (sticky) attractions on square and cubic lattices. The phase diagram shows a competition between gas-liquid and ordering transitions (which are of demixing type on the square lattice for $L ge 7$ and of nematic type on the cubic lattice for $L ge 5$). On the square lattice, increasing attractions initially lead to a stabilization of the isotropic phase. On the cubic lattice, the nematic transition remains of weak first order upon increasing the attractions. In the vicinity of the gas-liquid transition, the coexistence gap of the nematic transition quickly widens. These features are different from nematic transitions in the continuum.
We consider an off-lattice liquid crystal pair potential in strictly two dimensions. The potential is purely repulsive and short-ranged. Nevertheless, by means of a single parameter in the potential, the system is shown to undergo a first-order phase transition. The transition is studied using mean-field density functional theory, and shown to be of the isotropic-to-nematic kind. In addition, the theory predicts a large density gap between the two coexisting phases. The first-order nature of the transition is confirmed using computer simulation and finite-size scaling. Also presented is an analysis of the interface between the coexisting domains, including estimates of the line tension, as well as an investigation of anchoring effects.
Spontaneous onset of a low temperature topologically ordered phase in a 2-dimensional (2D) lattice model of uniaxial liquid crystal (LC) was debated extensively pointing to a suspected underlying mechanism affecting the RG flow near the topological fixed point. A recent MC study clarified that a prior crossover leads to a transition to nematic phase. The crossover was interpreted as due to the onset of a perturbing relevant scaling field originating from the extra spin degree of freedom. As a counter example and in support of this hypothesis, we now consider V-shaped bent-core molecules with rigid rod-like segments connected at an assigned angle. The two segments of the molecule interact with the segments of all the nearest neighbours on a square lattice, prescribed by a biquadratic interaction. We compute equilibrium averages of different observables with Monte Carlo techniques as a function of temperature and sample size. For the chosen molecular bend angle and symmetric inter-segment interaction between neighbouirng molecules, the 2D system shows two transitions as a function of T: the higher one at T1 leads to a topological ordering of defects associated with the major molecular axis without a crossover, imparting uniaxial symmetry to the medium described by the first fundamental group of the order parameter space $pi_{1}$= $Z_{2}$ (inversion symmetry). The second at T2 leads to a medium displaying biaxial symmetry with $pi_{1}$ = Q (quaternion group). The biaxial phase shows a self-similar microscopic structure with the three axes showing power law correlations with vanishing exponents as the temperature decreases.
We analyze the interaction with uniform external fields of nematic liquid crystals within a recent generalized free-energy posited by Virga and falling in the class of quartic functionals in the spatial gradients of the nematic director. We review some known interesting solutions, i. e., uniform heliconical structures, which correspond to the so-called twist-bend nematic phase and we also study the transition between this phase and the standard uniform nematic one. Moreover, we find liquid crystal configurations, which closely resemble some novel, experimentally detected, structures called Skyrmion Tubes. Skyrmion Tubes are characterized by a localized cylindrically-symmetric pattern surrounded by either twist-bend or uniform nematic phase. We study the equilibrium differential equations and find numerical solutions and analytical approximations.
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