Structural properties and ring defect formation in discotic liquid crystal nanodroplets

In this work, we performed NpT Monte Carlo simulations of a Gay-Berne discotic liquid crystal confined in a spherical droplet under face-on anchoring and fixed pressure. We find that, in contrast to the unbounded system, a plot of the order parameter as function of temperature does not show a clear evidence of a first-order isotropic-nematic transition. We also find that the impossibility of simultaneously satisfy the uniform director field requirement of a nematic phase with the radial boundary conditions, results in the appearance of a ring disclination line as a stress release mechanism in the interior of the droplet. Under further cooling, a columnar phase appears at the center of the droplet.

Automated summary

In this work, Monte Carlo simulations were performed to study the behavior of a Gay-Berne discotic liquid crystal confined in a spherical droplet. Results show that the presence of the droplet affects the phase transition behavior of the liquid crystal, and a ring disclination line appears as a stress release mechanism. Furthermore, a columnar phase forms at the center of the droplet with further cooling.