A lattice Boltzmann model for self-diffusiophoretic particles near and at liquid-liquid interfaces.

We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved solvent hydrodynamics, and, thanks to its versatility, it can handle important aspects of the multiphysics of the problem, including particle wettability and differential solubility of the product in the two liquid phases. The method is extensively validated in simple numerical experiments, whose outcome is theoretically predictable, and then applied to the study of the behavior of active particles next to and trapped at interfaces. We show that their motion can be variously steered by tuning relevant control parameters, such as the phoretic mobilities, the contact angle, and the product solubility.

Hydrodynamic and geometric effects in the sedimentation of model run-and-tumble microswimmers.

The sedimentation process in an active suspension is the result of the competition between gravity and the autonomous motion of particles. We carry out simulations of run-and-tumble squirmers that move in a fluid medium, focusing on the dependence of the non-equilibrium steady state on the swimming properties. We find that for large enough activity, the density profiles are no longer simple exponentials; we recover the numerical results through the introduction of a local effective temperature, suggesting that the breakdown of the Perrin-like exponential form is a collective effect due to fluid-mediated dynamic correlations among particles. We show that analogous concepts can also fit the case of active non-motile particles, for which we report the first study of this kind. Moreover, we provide evidence of scenarios where the solvent hydrodynamics induces non-local effects which require the full three-dimensional dynamics to be taken into account in order to understand sedimentation in active suspensions. Finally, analyzing the statistics of the orientations of microswimmers, the emergence of a height-dependent polar order in the system is discussed.

Rayleigh-Bénard convection of a model emulsion: anomalous heat-flux fluctuations and finite-size droplet effects.

We present mesoscale numerical simulations of Rayleigh-Bénard (RB) convection in a two-dimensional model emulsion. The systems under study are constituted of finite-size droplets, whose concentration Φ0 is systematically varied from small (Newtonian emulsions) to large values (non-Newtonian emulsions). We focus on the characterisation of the heat transfer properties close to the transition from conductive to convective states, where it is well known that a homogeneous Newtonian system exhibits a steady flow and a time-independent heat flux. In marked contrast, emulsions exhibit non-steady dynamics with fluctuations in the heat flux. In this paper, we aim at the characterisation of such non-steady dynamics via detailed studies on the time-averaged heat flux and its fluctuations. To quantitatively understand the time-averaged heat flux, we propose a side-by-side comparison between the emulsion system and a single-phase (SP) system, whose viscosity is suitably constructed from the shear rheology of the emulsion. We show that such local closure works well only when a suitable degree of coarse-graining (at the droplet scale) is introduced in the local viscosity. To delve deeper into the fluctuations in the heat flux, we furthermore propose a side-by-side comparison between a Newtonian emulsion (i.e., with a small droplet concentration) and a non-Newtonian emulsion (i.e., with a large droplet concentration), at fixed time-averaged heat flux. This comparison elucidates that finite-size droplets and the non-Newtonian rheology cooperate to trigger enhanced heat-flux fluctuations at the droplet scales. These enhanced fluctuations are rooted in the emergence of space correlations among distant droplets, which we highlight via direct measurements of the droplets displacement and the characterisation of the associated correlation function. The observed findings offer insights on heat transfer properties for confined systems possessing finite-size constituents.

Unravelling the role of phoretic and hydrodynamic interactions in active colloidal suspensions.

Active fluids comprise a variety of systems composed of elements immersed in a fluid environment which can convert some form of energy into directed motion; as such they are intrinsically out-of-equilibrium in the absence of any external force. A fundamental problem in the physics of active matter concerns the understanding of how the characteristics of autonomous propulsion and agent-agent interactions determine the collective dynamics of the system. We study numerically the suspensions of self-propelled diffusiophoretic colloids, in (quasi)-2d configurations, accounting for both dynamically resolved solute-mediated phoretic interactions and solvent-mediated hydrodynamic interactions. Our results show that the system displays different scenarios at changing the colloid-solute affinity and it develops a cluster phase in the chemoattractive case. We study the statistics of cluster sizes and cluster morphologies for different magnitudes of colloidal activity. Finally, we provide evidences that hydrodynamics plays a relevant role in the aggregation kinetics and cluster morphology, significantly hindering cluster growth.

Discrete fluidization of dense monodisperse emulsions in neutral wetting microchannels.

The rheology of pressure-driven flows of two-dimensional dense monodisperse emulsions in neutral wetting microchannels is investigated by means of mesoscopic lattice Boltzmann simulations, capable of handling large collections of droplets, in the order of several hundreds. The simulations reveal that the fluidization of the emulsion proceeds through a sequence of discrete steps, characterized by yielding events whereby layers of droplets start rolling over each other, thus leading to sudden drops of the relative effective viscosity. It is shown that such discrete fluidization is robust against loss of confinement, namely it persists also in the regime of small ratios of the droplet diameter over the microchannel width. We also develop a simple phenomenological model which predicts a linear relation between the relative effective viscosity of the emulsion and the product of the confinement parameter (global size of the device over droplet radius) and the viscosity ratio between the disperse and continuous phases. The model shows excellent agreement with the numerical simulations. The present work offers new insights to enable the design of microfluidic scaffolds for tissue engineering applications and paves the way to detailed rheological studies of soft-glassy materials in complex geometries.

Heat-flux scaling in turbulent Rayleigh-Bénard convection with an imposed longitudinal wind.

We present a numerical study of Rayleigh-Bénard convection disturbed by a longitudinal wind. Our results show that under the action of the wind, the vertical heat flux through the cell initially decreases, due to the mechanism of plume sweeping, and then increases again when turbulent forced convection dominates over the buoyancy. As a result, the Nusselt number is a nonmonotonic function of the shear Reynolds number. We provide simple models that capture with good accuracy all the dynamical regimes observed. We expect that our findings can lead the way to a more fundamental understanding of the complex interplay between mean wind and plume ejection in the Rayleigh-Bénard phenomenology.