Active nematic liquid crystals simulated by particle-based mesoscopic methods

Abstract

Two Multi-particle collision dynamics algorithms that simulate nematic liquid crystals are generalised to reproduce active behaviour. One of the algorithms is due to Shendruk and Yeomans and is based on particles that carry an orientation vector ordered by a mean-field energy [T. N. Shendruk and J. M. Yeomans, Soft Matter, 2015, 11, 5101]. In the other algorithm, due to Mandal and Mazza, particles possess an order parameter tensor which evolves according to the Qian–Sheng model of nematohydrodynamics [S. Mandal and M. G. Mazza, Phys. Rev. E, 2019, 99, 063319]. For both methods activity is incorporated through a force proportional to the divergence of the local average order parameter tensor. Both implementations produce disclination curves in the nematic fluid that undergo nucleation and self-annihilation dynamics. Topological defects are found to be consistent with those observed in recent experiments of three-dimensional active nematics. Results permit to compare the length-scales over which the different nematic Multi-particle collision dynamics methods operate. The structure and dynamics of the orientation and flow fields agree with those obtained recently in numerical studies of continuum three-dimensional active nematics. Overall, our results open the opportunity to use mesoscopic particle-based approaches to study active liquid crystals in situations such as nonequilibrium states driven by flow or colloidal particles in active anisotropic solvents.