Multi-Particle Collision Dynamics Algorithm for Nematic Fluids

TL;DR

This paper introduces a multi-particle collision dynamics algorithm tailored for simulating nematic liquid crystals, capturing key phase transitions, defect behaviors, and flow properties efficiently in 2D and 3D.

Contribution

The paper presents a novel MPCD-based method specifically designed for nematic fluids, enabling detailed simulation of their hydrodynamics and director fields with computational efficiency.

Findings

Successfully reproduces nematic-isotropic phase transition with hysteresis

Captures defect dynamics and elastic properties

Models boundary condition effects on order parameters

Abstract

Research on transport, self-assembly and defect dynamics within confined, flowing liquid crystals requires versatile and computationally efficient mesoscopic algorithms to account for fluctuating nematohydrodynamic interactions. We present a multi-particle collision dynamics (MPCD) based algorithm to simulate liquid-crystal hydrodynamic and director fields in two and three dimensions. The nematic-MPCD method is shown to successfully reproduce the features of a nematic liquid crystal, including a nematic-isotropic phase transition with hysteresis in 3D, defect dynamics, isotropic Frank elastic coefficients, tumbling and shear alignment regimes and boundary condition dependent order parameter fields.