Search

Chiral active fluids show the emergence of a turbulent behavior characterized by multiple dynamic vortices whose maximum size is specific for each experimental system. This is in contrast to hydrodynamic simulations in which the size of vortices is only limited by the system size. We propose and develop an approach to model the effect of friction close to a surface in a particle based hydrodynamic simulation method in two dimensions, in which the friction coefficient can be related to the system parameters and to the emergence of a damping length. This length limits the size of the emergent vortices, and influences other relevant system properties such as the actuated velocity, rotational diffusion, or the cutoff of the energy spectra. Comparison of simulation and experimental results show a good agreement which demonstrates the predictive capabilities of the approach, which can be applied to a wider class of quasi-two-dimensional systems with friction., Comment: 12 pages, 9 figures

The phoretic Brownian dynamics method is shown here to be an effective approach to simulate the properties of colloidal chemophoretic based systems. The method is then optimized to allow for the comparison with results from multiparticle collision dynamics, a hydrodynamic method with explicit solvent, which can also be employed in the case of chemoattractive polymers. In order to obtain a good match of the conformational equilibrium properties of the models without and with explicit solvent, we propose a modified version of the phoretic Brownian dynamics accounting for the explicit solvent induced swelling. In the presence of activity, chemoattractive polymers show a transition to a compact globular state and hydrodynamics have a non-trivial influence in the polymer collapse times. The phoretic Brownian method can then be applied to much longer polymers, which allows the observation of a non-monotonous growth of both, the radius of gyration and the relaxation time with polymer length, for such chemoattractive active polymers., Comment: 10 pages, 8 figures

A system of particles with motility variable in terms of a vision-type of perception is here investigated by a combination of Langevin dynamics simulations in two-dimensional systems and an analytical approach based on conservation law principles. Persistent swirling with predetermined direction is here induced by differentiating the self-propulsion direction and the perception cone axis. Clusters can have a fluid-like center with a rotating outer layer, or display a solid-like rotation driven by the outer layer activity. Discontinuous motility with misaligned perception might therefore serve as a powerful self-organization strategy in micro-robots., Comment: 6 pages, 4 figures

Polar activity is shown here to induce a progressive local deformation of linear polymer chains, making a clear distinction between head and tail, while the overall chain conformation gets more compact. This breakdown of self-similarity, provoked by the accumulated tension on the polymer backbone induced by the activity, is shown to occur both in the absence and presence of inertia, although it is stronger in the latter case. Other properties like the relaxation time and diffusion are also largely influenced by the presence of a polar activity., Comment: 6 pages, 4 figures

Activity and autonomous motion are fundamental in living and engineering systems. This has stimulated the new field of active matter in recent years, which focuses on the physical aspects of propulsion mechanisms, and on motility-induced emergent collective behavior of a larger number of identical agents. The scale of agents ranges from nanomotors and microswimmers, to cells, fish, birds, and people. Inspired by biological microswimmers, various designs of autonomous synthetic nano- and micromachines have been proposed. Such machines provide the basis for multifunctional, highly responsive, intelligent (artificial) active materials, which exhibit emergent behavior and the ability to perform tasks in response to external stimuli. A major challenge for understanding and designing active matter is their inherent nonequilibrium nature due to persistent energy consumption, which invalidates equilibrium concepts such as free energy, detailed balance, and time-reversal symmetry. Unraveling, predicting, and controlling the behavior of active matter is a truly interdisciplinary endeavor at the interface of biology, chemistry, ecology, engineering, mathematics, and physics. The vast complexity of phenomena and mechanisms involved in the self-organization and dynamics of motile active matter comprises a major challenge. Hence, to advance, and eventually reach a comprehensive understanding, this important research area requires a concerted, synergetic approach of the various disciplines.

Simulations of nano- to micro-meter scale fluidic systems under thermal gradients require consistent mesoscopic methods accounting for both hydrodynamic interactions and proper transport of energy. One such method is dissipative particle dynamics with energy conservation (DPDE), which has been used for various fluid systems with non-uniform temperature distributions. Despite the success of the method, existing integration algorithms have shown to result in an undesired energy drift, putting into question whether the DPDE method properly captures properties of real fluids. We propose a modification of the velocity-Verlet algorithm with local energy conservation for each DPDE particle, such that the total energy is conserved up to machine precision. Furthermore, transport properties of a DPDE fluid are analyzed in detail. In particular, an analytical approximation for the thermal conductivity coefficient is derived, which allows the selection of a specific value a priori. Finally, we provide approximate expressions for the dimensionless Prandtl and Schmidt numbers, which characterize fluid transport properties and can be adjusted independently by a proper selection of model parameters, and therefore, made comparable with those of real fluids. In conclusion, our results strengthen the DPDE method as a very robust approach for the investigation of mesoscopic systems with temperature inhomogeneities., Comment: 12 pages, 8 figures

Motor proteins drive persistent motion and self-organisation of cytoskeletal filaments. However, state-of-the-art microscopy techniques and continuum modelling approaches focus on large length and time scales. Here, we perform component-based computer simulations of polar filaments and molecular motors linking microscopic interactions and activity to self-organisation and dynamics from the two-filament level up to the mesoscopic domain level. Dynamic filament crosslinking and sliding, and excluded-volume interactions promote formation of bundles at small densities, and of active polar nematics at high densities. A buckling-type instability sets the size of polar domains and the density of topological defects. We predict a universal scaling of the active diffusion coefficient and the domain size with activity, and its dependence on parameters like motor concentration and filament persistence length. Our results provide a microscopic understanding of cytoplasmic streaming in cells and help to develop design strategies for novel engineered active materials., Comment: 6 Figures

Fluid flow along microchannels can be induced by keeping opposite walls at different temperatures, and placing elongated tilted pillars inside the channel. The driving force for this fluid motion arises from the anisotropic thermophoretic effect of the elongated pillars that generates a force parallel to the walls, and perpendicular to the temperature gradient. The force is not determined by the thermophilic or thermophobic character of the obstacle surface, but by the geometry and the thermophoretic anisotropy of the obstacle. Via mesoscale hydrodynamic simulations, we investigate the pumping properties of the device as a function of the channel geometry, and pillar surface properties. Applications as fluidic mixers, and fluid alternators are also outlined, together with the potential use of all these devices to harvest waste heat energy. Furthermore, similar devices can be also built employing diffusiophoresis or electrophoresis., Comment: 12 pages, 14 figures

Colloidal migration in temperature gradient is referred to as thermophoresis. In contrast to particles with spherical shape, we show that elongated colloids may have a thermophoretic response that varies with the colloid orientation. Remarkably, this can translate into a non-vanishing thermophoretic force in the direction perpendicular to the temperature gradient. Oppositely to the friction force, the thermophoretic force of a rod oriented with the temperature gradient can be larger or smaller than when oriented perpendicular to it. The precise anisotropic thermophoretic behavior clearly depends on the colloidal rod aspect ratio, and also on its surface details, which provides an interesting tunability to the devices constructed based on this principle. By means of mesoscale hydrodynamic simulations, we characterize this effect for different types of rod-like colloids., Comment: 8 pages, 10 figures

Self-propelled phoretic colloids have recently emerged as a promising avenue for the design of artificial swimmers. These swimmers combine purely phoretic interactions with intricate hydrodynamics which critically depend on the swimmer shape. Thermophobic dimer shaped colloids are here investigated by means of hydrodynamic simulations, from the single particle motion to their collective behavior. The combination of phoretic repulsion with hydrodynamic lateral attraction favors the formation of planar moving clusters. The resulting hydrodynamic assembly in flattened swarms is therefore very specific to these dimeric active colloids., Comment: 5 pages, 3 figures

Spontaneous segregation of run-and-tumble particles with different velocities in microchannels is investigated by numerical simulations. Self-propelled particles are known to accumulate in the proximity of walls. Here we show how fast particles expel slower ones from the wall leading to a segregated state. The mechanism is understood as a function of particle velocities, particle density, or channel width. In the presence of an external fluid flow, particles with two different velocities segregate due to their different particle fluxes. Promising applications can be found in the development of microfluidic lab-on-a-chip devices for sorting of particles with different motilities.

A mesoscopic hydrodynamic model to simulate synthetic self-propelled Janus particles which is thermophoretically or diffusiophoretically driven is here developed. We first propose a model for a passive colloidal sphere which reproduces the correct rotational dynamics together with strong phoretic effect. This colloid solution model employs a multiparticle collision dynamics description of the solvent, and combines potential interactions with the solvent, with stick boundary conditions. Asymmetric and specific colloidal surface is introduced to produce the properties of self-phoretic Janus particles. A comparative study of Janus and microdimer phoretic swimmers is performed in terms of their swimming velocities and induced flow behavior. Self-phoretic microdimers display long range hydrodynamic interactions and can be characterized as pullers or pushers. In contrast, Janus particles are characterized by short range hydrodynamic interactions and behave as neutral swimmers. Our model nicely mimics those recent experimental realization of the self-phoretic Janus particles., Comment: 11pages, 12figures, 2tables

A model system for classical fluids out of equilibrium, referred to as DPD solid (Dissipative Particles Dynamics), is studied by analytical and simulation methods. The time evolution of a DPD particle is described by a fluctuating heat equation. This DPD solid with transport based on collisional transfer (high density mechanism) is complementary to the Lorentz gas with only kinetic transport (low density mechanism). Combination of both models covers the qualitative behavior of transport properties of classical fluids over the full density range. The heat diffusivity is calculated using a mean field theory, leading to a linear density dependence of this transport coefficient, which is exact at high densities. Subleading density corrections are obtained as well. At lower densities the model has a conductivity threshold below which heat conduction is absent. The observed threshold is explained in terms of percolation diffusion on a random proximity network. The geometrical structure of this network is the same as in continuum percolation of completely overlapping spheres, but the dynamics on this network differs from continuum percolation diffusion. Furthermore, the kinetic theory for DPD is extended to the generalized hydrodynamic regime, where the wave number dependent decay rates of the Fourier modes of the energy and temperature fields are calculated., Comment: 20 pages (Revised version) to appear Phys. Rev. E

We study by means of numerical simulations the model of dissipative particle dynamics with energy conservation for the simple case of thermal conduction. It is shown that the model displays correct equilibrium fluctuations and reproduces Fourier law. The connection between "mesoscopic coarse graining" and "resolution" is clarified., Comment: 8 pages, 5 figures, to be published in Int. J. of Mod. Phys. C