No Arabic abstract
Active matter describes materials whose constituents are driven out of equilibrium by continuous energy consumption, for instance from ATP. Due to the orientable character of the constituents, active suspensions can attain liquid crystalline order and can be theoretically described as active liquid crystals. Their inherently nonequilibrium dynamics causes a range of new striking effects, that in most cases have been characterized with numerical simulations, using lattice Boltzmann models (LB). In many active biological systems chirality plays an important role. Biomolecules such as DNA, actin, or microtubules form helical structures which, at sufficiently high density and in the absence of active forces, tend to self-assemble into twisted cholesteric phases. Understanding the outcome of the interplay between chirality and activity is therefore an important and timely question. Studying a droplet of chiral matter in 3D, we have found evidence of a new motility mode, where the rotational motion of surface topological defects, that arrange in a fan-like pattern. The resulting regular propulsive motion due to the underlying chirality is a striking phenomenon that can be also used in practical applications. The use of a parallel (MPI) implementation of lattice Boltzmann models, and available HPC resources, have been of fundamental importance in conducting the study. We have used different HPC clusters and among these RECAS. This allowed us to conduct a scaling test performed on different computational infrastructures.
Collective behaviour in suspensions of microswimmers is often dominated by the impact of long-ranged hydrodynamic interactions. These phenomena include active turbulence, where suspensions of pusher bacteria at sufficient densities exhibit large-scale, chaotic flows. To study this collective phenomenon, we use large-scale (up to $N=3times 10^6$) particle-resolved lattice Boltzmann simulations of model microswimmers described by extended stresslets. Such system sizes enable us to obtain quantitative information about both the transition to active turbulence and characteristic features of the turbulent state itself. In the dilute limit, we test analytical predictions for a number of static and dynamic properties against our simulation results. For higher swimmer densities, where swimmer-swimmer interactions become significant, we numerically show that the length- and timescales of the turbulent flows increase steeply near the predicted finite-system transition density.
We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently ``extensile rods, in the case of flow-aligning liquid crystals, and for sufficiently ``contractile ones for flow-tumbling materials. In a quasi-1D geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, re-arrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of ``convection rolls. These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behaviour of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behaviour of active nematics.
We investigate the break-up of Newtonian/viscoelastic droplets in a viscoelastic/Newtonian matrix under the hydrodynamic conditions of a confined shear flow. Our numerical approach is based on a combination of Lattice-Boltzmann models (LBM) and Finite Difference (FD) schemes. LBM are used to model two immiscible fluids with variable viscosity ratio (i.e. the ratio of the droplet to matrix viscosity); FD schemes are used to model viscoelasticity, and the kinetics of the polymers is introduced using constitutive equations for viscoelastic fluids with finitely extensible non-linear elastic dumbbells with Peterlins closure (FENE-P). We study both strongly and weakly confined cases to highlight the role of matrix and droplet viscoelasticity in changing the droplet dynamics after the startup of a shear flow. Simulations provide easy access to quantities such as droplet deformation and orientation and will be used to quantitatively predict the critical Capillary number at which the droplet breaks, the latter being strongly correlated to the formation of multiple neckings at break-up. This study complements our previous investigation on the role of droplet viscoelasticity (A. Gupta & M. Sbragaglia, {it Phys. Rev. E} {bf 90}, 023305 (2014)), and is here further extended to the case of matrix viscoelasticity.
Active liquid crystals or active gels are soft materials which can be physically realised e.g. by preparing a solution of cytoskeletal filaments interacting with molecular motors. We study the hydrodynamics of an active liquid crystal in a slab-like geometry with various boundary conditions, by solving numerically its equations of motion via lattice Boltzmann simulations. In all cases we find that active liquid crystals can sustain spontaneous flow in steady state contrarily to their passive counterparts, and in agreement with recent theoretical predictions. We further find that conflicting anchoring conditions at the boundaries lead to spontaneous flow for any value of the activity parameter, while with unfrustrated anchoring at all boundaries spontaneous flow only occurs when the activity exceeds a critical threshold. We finally discuss the dynamic pathway leading to steady state in a few selected cases.
We discuss the flow field and propulsion velocity of active droplets, which are driven by body forces residing on a rigid gel. The latter is modelled as a porous medium which gives rise to permeation forces. In the simplest model, the Brinkman equation, the porous medium is characterised by a single length scale $ell$ --the square root of the permeability. We compute the flow fields inside and outside of the droplet as well as the energy dissipation as a function of $ell$. We furthermore show that there are optimal gel fractions, giving rise to maximal linear and rotational velocities. In the limit $elltoinfty$, corresponding to a very dilute gel, we recover Stokes flow. The opposite limit, $ellto 0$, corresponding to a space filling gel, is singular and not equivalent to Darcys equation, which cannot account for self-propulsion.