Liquid-crystal phase diagrams of binary mixtures of hard spherocylinders.

Smectic, nematic, and isotropic phases in binary mixtures of thin and thick hard spherocylinders.

A second-virial Onsager theory, based on Parsons-Lee rescaling and suitably extended to deal with multicomponent systems and smectic phases, has been used to calculate the phase diagram of a collection of binary mixtures of thin and thick hard spherocylinders. In particular, two types of phase diagrams are investigated. First, a number of binary mixtures where the two components have the same t...

Crystal-liquid crystal binary phase diagrams.

We propose a new theoretical scheme for the binary phase diagrams of crystal-liquid crystal mixtures by a combination of a phase field model of solidification, the Flory-Huggins theory for liquid-liquid mixing and Maier-Saupe-McMillan (FH-MSM) model for nematic and smectic liquid crystal orderings. The phase field theory describes the crystal phase transition of anisotropic organic crystal and/...

Demixing behavior in two-dimensional mixtures of anisotropic hard bodies.

Scaled particle theory for a binary mixture of hard discorectangles and for a binary mixture of hard rectangles is used to predict possible liquid-crystal demixing scenarios in two dimensions. Through a bifurcation analysis from the isotropic phase, it is shown that isotropic-nematic demixing is possible in two-dimensional liquid-crystal mixtures composed of hard convex bodies. This bifurcation...

Computer simulation of charged hard spherocylinders.

In this work we present a computer simulation study of charged hard spherocylinders of aspect ratio L/sigma=5, using NVT and NPT Monte Carlo methods. Coulombic interactions are handled using the Wolf method [D. Wolf, P. Keblinski, S. R. Phillpot, and J. Eggebrecht, J. Chem. Phys. 110, 8254 (1999)]. Thermodynamic and structural properties are in excellent agreement with the results obtained with...

Publisher's Note: "Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders" [J. Chem. Phys. 143, 044906 (2015)].