Pair correlation functions and stability of nematic in a system of Gay-Berne ellipsoids doped with spherical colloids

Pair-structure of a binary mixture of soft-ellipsoids and spheres interacting via generalized Gay-Berne intermolecular potential using Percus-Yevick (PY) integral equation theory. The generalized Gay-Berne interaction model allows us to vary the diameter of the spheres in comparison to the width of the Gay-Berne ellipsoids. Three different cases of sphere size namely diameter of the spheres being smaller, equal and larger than the minor axis of the ellipsoids have been considered. We have analyzed the radial distribution functions and static structure factors of the mixtures and found that addition of spherical particles to a system of ellipsoids results in stronger pair-correlations between ellipsoidal particles. We observe that smaller spherical additives are more effective in enhancing the ellipsoidal pair -correlations in comparison to the bigger spheres at similar density.The static structure factors are not found to diverge in the low wavelength limit indicating a stable mixture for the set of parameters studied in this work. We have also used classical density functional theory of freezing to investigate the effect of spherical additives and their size on the isotropic-nematic phase transition. We found a stable nematic phase whose order parameter is found to increase with the increase in not only the density of spherical additives but also with increase in their size.(c) 2023 Elsevier B.V. All rights reserved.

Automated summary

This study investigates the pair structure of a binary mixture of soft-ellipsoids and spheres interacting via generalized Gay-Berne intermolecular potential using Percus-Yevick integral equation theory. The addition of spherical particles to a system of ellipsoids enhances their pair-correlations, with smaller spherical additives being more effective than larger spheres at similar density. The static structure factors do not diverge in the low wavelength limit, indicating a stable mixture. Furthermore, the effect of spherical additives and their size on the isotropic-nematic phase transition is examined using classical density functional theory of freezing, revealing a stable nematic phase with an increasing order parameter.