Equilibrium phases and domain growth kinetics of calamitic liquid crystals

TL;DR

This study investigates how the energy anisotropy parameter K' influences the phase transitions and domain growth kinetics in calamitic liquid crystals through large-scale simulations, revealing distinct coarsening behaviors and universal scaling laws.

Contribution

It provides new insights into the effects of energy anisotropy on phase behavior and domain growth in liquid crystals, including the discovery of a two-time-scale coarsening process in the smectic phase.

Findings

K' significantly lowers the I->Nm transition temperature Tc1.

Domain growth follows L(t)~t^0.5 in nematic phase and L(t)~t^0.25 in smectic phase.

Dynamical scaling is observed and is robust across different K' values.

Abstract

The anisotropic shape of calamitic LC particles results in distinct energy values when nematogens are placed side-by-side or end-to-end. The energy anisotropy governed by parameter K' has deep consequences on equilibrium & non-equilibrium properties. Using GB model, which shows Nm & low temperature Sm order, we undertake large-scale MC & MD simulations to probe effect of K' on the equilibrium phase diagram & the non-equilibrium domain growth following a quench in the temperature T (coarsening). There are 2 transitions in the model, I->Nm at Tc1 & Nm->Sm at Tc2<Tc1. K' decreases Tc1 significantly, but has relatively little effect on Tc2. Domain growth in Nm phase exhibits the well-known LAC law, L(t)~t^0.5 & evolution is via annihilation of string defects. The system exhibits dynamical scaling that is also robust with respect to K'. We find that Sm phase at quench temperatures T (T>Tc1->T<Tc2) that we consider has SmB order with a hexatic arrangement of the LC molecules in the layers. Coarsening in this phase exhibits a striking two-time-scale scenario: first the LC molecules align & develop orientational order, followed by emergence of characteristic layering along with the hexatic bond-orientational-order within layers. Consequently, the growth follows the LAC law L(t)~t^0.5 at early times & then shows a sharp crossover to a slower growth regime at later times. Our observations strongly suggest L(t)~t^0.25 in this regime. Interestingly, the correlation function shows dynamical scaling in both the regimes & the scaling function is universal. The dynamics is also robust with respect to changes in K', but the smecticity is more pronounced at larger values. Further, the early-time dynamics is governed by string defects, while the late-time evolution is dictated by interfacial defects. We believe this scenario is generic to Sm phase even with other kinds of local order within Sm layers.