Abstract We adapt the Halperin–Mazenko formalism to analyze two-dimensional active nematics coupled to a generic fluid flow. The governing hydrodynamic equations lead to evolution laws for nematic topological defects and their corresponding density fields. We find that ±1/2 defects are propelled by the local fluid flow and by the nematic orientation coupled with the flow shear rate. In the overdamped and compressible limit, we recover the previously obtained active self-propulsion of the +1/2 defects. Non-local hydrodynamic effects are primarily significant for incompressible flows, for which it is not possible to eliminate the fluid velocity in favor of the local defect polarization alone. For the case of two defects with opposite charge, the non-local hydrodynamic interaction is mediated by non-reciprocal pressure-gradient forces. Finally, we derive continuum equations for a defect gas coupled to an arbitrary (compressible or incompressible) fluid flow.
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Structures, thermodynamics and dynamics of topological defects in Gay–Berne nematic liquid crystals
Topological defects are a ubiquitous phenomenon across different physical systems. A better understanding of defects can be helpful in elucidating the physical behaviors of many real materials systems. In nematic liquid crystals, defects exhibit unique optical signatures and can segregate impurities, showing their promise as molecular carriers and nano-reactors. Continuum theory and simulations have been successfully applied to link static and dynamical behaviors of topological defects to the material constants of the underlying nematic. However, further evidence and molecular details are still lacking. Here we perform molecular dynamics simulations of Gay–Berne particles, a model nematic, to examine the molecular structures and dynamics of +1/2 defects in a thin-film nematic. Specifically, we measure the bend-to-splay ratio K 3 / K 1 using two independent, indirect measurements, showing good agreement. Next, we study the annihilation event of a pair of ±1/2 defects, of which the trajectories are consistent with experiments and hydrodynamic simulations. We further examine the thermodynamics of defect annihilation in an NVE ensemble, leading us to correctly estimate the elastic modulus by using the energy conservation law. Finally, we explore effects of defect annihilation in regions of nonuniform temperature within these coarse-grained molecular models which cannot be analysed by existing continuum level simulations. We find that +1/2 defects tend to move toward hotter areas and their change of speed in a temperature gradient can be quantitatively understood through a term derived from the temperature dependence of the elastic modulus. As such, our work has provided molecular insights into structures and dynamics of topological defects, presented unique and accessible methods to measure elastic constants by inspecting defects, and proposed an alternative control parameter of defects using temperature gradient.
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- Award ID(s):
- 1751988
- PAR ID:
- 10416519
- Date Published:
- Journal Name:
- Soft Matter
- Volume:
- 19
- Issue:
- 3
- ISSN:
- 1744-683X
- Page Range / eLocation ID:
- 483 to 496
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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We study the dynamics of topological defects in active nematic films with spatially varying activity and consider two set-ups: (i) a constant activity gradient and (ii) a sharp jump in activity. A constant gradient of extensile (contractile) activity endows the comet-like +1/2 defect with a finite vorticity that drives the defect to align its nose in the direction of decreasing (increasing) gradient. A constant gradient does not, however, affect the known self-propulsion of the +1/2 defect and has no effect on the −1/2 that remains a non-motile particle. A sharp jump in activity acts like a wall that traps the defects, affecting the translational and rotational motion of both charges. The +1/2 defect slows down as it approaches the interface and the net vorticity tends to reorient the defect polarization so that it becomes perpendicular to the interface. The −1/2 defect acquires a self-propulsion towards the activity interface, while the vorticity-induced active torque tends to align the defect to a preferred orientation. This effective attraction of the negative defects to the wall is consistent with the observation of an accumulation of negative topological charge at both active/passive interfaces and physical boundaries.
- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1039/D2SM01178F
