Emergent collective dynamics of pusher and puller squirmer rods: swarming, clustering, and turbulence.

We study the interplay of steric and hydrodynamic interactions in suspensions of elongated microswimmers by simulating the full hydrodynamics of squirmer rods in the quasi two-dimensional geometry of a Hele-Shaw cell. To create pusher or puller-type squirmer rods, we concentrate the surface slip-velocity field more to the back or to the front of the rod and thereby are able to tune the rod's force-dipole strength. We study a wide range of aspect ratios and area fractions and provide corresponding state diagrams. The flow field of pusher-type squirmer rods destabilizes ordered structures and favors the disordered state at small area fractions and aspect ratios. Only when steric interactions become relevant, we observe a turbulent and dynamic cluster state, while for large aspect ratios a single swarm and jammed cluster occurs. The power spectrum of the turbulent state shows two distinct energy cascades at small and large wave numbers with power-law scaling and non-universal exponents. Pullers show a strong tendency to form swarms instead of the disordered state found for neutral and pusher rods. At large area fractions a dynamic cluster is observed and at larger aspect ratio a single swarm or jammed cluster occurs.

Gyrotactic cluster formation of bottom-heavy squirmers.

Squirmers that are bottom-heavy experience a torque that aligns them along the vertical so that they swim upwards. In a suspension of many squirmers, they also interact hydrodynamically via flow fields that are initiated by their swimming motion and by gravity. Swimming under the combined action of flow field vorticity and gravitational torque is called gyrotaxis. Using the method of multi-particle collision dynamics, we perform hydrodynamic simulations of a many-squirmer system floating above the bottom surface. Due to gyrotaxis they exhibit pronounced cluster formation with increasing gravitational torque. The clusters are more volatile at low values but compactify to smaller clusters at larger torques. The mean distance between clusters is mainly controlled by the gravitational torque and not the global density. Furthermore, we observe that neutral squirmers form clusters more easily, whereas pullers require larger gravitational torques due to their additional force-dipole flow fields. We do not observe clustering for pusher squirmers. Adding a rotlet dipole to the squirmer flow field induces swirling clusters. At high gravitational strengths, the hydrodynamic interactions with the no-slip boundary create an additional vertical alignment for neutral squirmers, which also supports cluster formation.

Multi-particle collision dynamics with a non-ideal equation of state. II. Collective dynamics of elongated squirmer rods.

Simulations of flow fields around microscopic objects typically require methods that both solve the Navier-Stokes equations and also include thermal fluctuations. One such method popular in the field of soft-matter physics is the particle-based simulation method of multi-particle collision dynamics (MPCD). However, in contrast to the typically incompressible real fluid, the fluid of the traditional MPCD methods obeys the ideal-gas equation of state. This can be problematic because most fluid properties strongly depend on the fluid density. In a recent article, we proposed an extended MPCD algorithm and derived its non-ideal equation of state and an expression for the viscosity. In the present work, we demonstrate its accuracy and efficiency for the simulations of the flow fields of single squirmers and of the collective dynamics of squirmer rods. We use two exemplary squirmer-rod systems for which we compare the outcome of the extended MPCD method to the well-established MPCD version with an Andersen thermostat. First, we explicitly demonstrate the reduced compressibility of the MPCD fluid in a cluster of squirmer rods. Second, for shorter rods, we show the interesting result that in simulations with the extended MPCD method, dynamic swarms are more pronounced and have a higher polar order. Finally, we present a thorough study of the state diagram of squirmer rods moving in the center plane of a Hele-Shaw geometry. From a small to large aspect ratio and density, we observe a disordered state, dynamic swarms, a single swarm, and a jammed cluster, which we characterize accordingly.

Multi-particle collision dynamics with a non-ideal equation of state. I.

The method of multi-particle collision dynamics (MPCD) and its different implementations are commonly used in the field of soft matter physics to simulate fluid flow at the micron scale. Typically, the coarse-grained fluid particles are described by the equation of state of an ideal gas, and the fluid is rather compressible. This is in contrast to conventional fluids, which are incompressible for velocities much below the speed of sound, and can cause inhomogeneities in density. We propose an algorithm for MPCD with a modified collision rule that results in a non-ideal equation of state and a significantly decreased compressibility. It allows simulations at less computational costs compared to conventional MPCD algorithms. We derive analytic expressions for the equation of state and the corresponding compressibility as well as shear viscosity. They show overall very good agreement with simulations, where we determine the pressure by simulating a quiet bulk fluid and the shear viscosity by simulating a linear shear flow and a Poiseuille flow.

Squirmer rods as elongated microswimmers: flow fields and confinement.

Microswimmers or active elements, such as bacteria and active filaments, have an elongated shape, which determines their individual and collective dynamics. There is still a need to identify what role long-range hydrodynamic interactions play in their fascinating dynamic structure formation. We construct rods of different aspect ratios using several spherical squirmer model swimmers. With the help of the mesoscale simulation method of multi-particle collision dynamics we analyze the flow fields of these squirmer rods both in a bulk fluid and in Hele-Shaw geometries of different slab widths. Based on the hydrodynamic multipole expansion either for bulk or confinement between two parallel plates, we categorize the different multipole contributions of neutral as well as pusher-type squirmer rods. We demonstrate how confinement alters the radial decay of the flow fields for a given force or source multipole moment compared to the bulk fluid.

Self-assembly of liquid crystals in nanoporous solids for adaptive photonic metamaterials.

Nanoporous media exhibit structures significantly smaller than the wavelengths of visible light and can thus act as photonic metamaterials. Their optical functionality is not determined by the properties of the base materials, but rather by tailored, multiscale structures, in terms of precise pore shape, geometry, and orientation. Embedding liquid crystals in pore space provides additional opportunities to control light-matter interactions at the single-pore, meta-atomic scale. Here, we present temperature-dependent 3D reciprocal space mapping using synchrotron-based X-ray diffraction in combination with high-resolution birefringence experiments on disk-like mesogens (HAT6) imbibed in self-ordered arrays of parallel cylindrical pores 17 to 160 nm across in monolithic anodic aluminium oxide (AAO). In agreement with Monte Carlo computer simulations we observe a remarkably rich self-assembly behaviour, unknown from the bulk state. It encompasses transitions between the isotropic liquid state and discotic stacking in linear columns as well as circular concentric ring formation perpendicular and parallel to the pore axis. These textural transitions underpin an optical birefringence functionality, tuneable in magnitude and in sign from positive to negative via pore size, pore surface-grafting and temperature. Our study demonstrates that the advent of large-scale, self-organised nanoporosity in monolithic solids along with confinement-controllable phase behaviour of liquid-crystalline matter at the single-pore scale provides a reliable and accessible tool to design materials with adjustable optical anisotropy, and thus offers versatile pathways to fine-tune polarisation-dependent light propagation speeds in materials. Such a tailorability is at the core of the emerging field of transformative optics, allowing, e.g., adjustable light absorbers and extremely thin metalenses.

Quantized Self-Assembly of Discotic Rings in a Liquid Crystal Confined in Nanopores.

Disklike molecules with aromatic cores spontaneously stack up in linear columns with high, one-dimensional charge carrier mobilities along the columnar axes, making them prominent model systems for functional, self-organized matter. We show by high-resolution optical birefringence and synchrotron-based x-ray diffraction that confining a thermotropic discotic liquid crystal in cylindrical nanopores induces a quantized formation of annular layers consisting of concentric circular bent columns, unknown in the bulk state. Starting from the walls this ring self-assembly propagates layer by layer towards the pore center in the supercooled domain of the bulk isotropic-columnar transition and thus allows one to switch on and off reversibly single, nanosized rings through small temperature variations. By establishing a Gibbs free energy phase diagram we trace the phase transition quantization to the discreteness of the layers' excess bend deformation energies in comparison to the thermal energy, even for this near room-temperature system. Monte Carlo simulations yielding spatially resolved nematic order parameters, density maps, and bond-orientational order parameters corroborate the universality and robustness of the confinement-induced columnar ring formation as well as its quantized nature.