We introduce methods for large scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and it "square" root are available for the given boundary conditions. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely-used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large scale simulations, an Euler-Maruyama traction scheme and a Trapezoidal Slip scheme, which minimize the number of mobility solves per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in a dense suspensions of confined microrollers, whose height above the wall is set by a combination of thermal noise and active flows. We find the existence of two populations of active particles, slower ones closer to the bottom and faster ones above them, and demonstrate that our method provides quantitative accuracy even with relatively coarse resolutions of the particle geometry.
The deviatoric stresses of colloidal suspensions are routinely calculated using the expression introduced by Batchelor [J. Fluid Mech. 83, 97--117 (1977)]. We show by example that the central feature in its derivation, the thermodynamic force driving particles down the density gradient, is inconsistent with the motion of the colloids. A new expression for the stress is proposed.
Yielding behavior is well known in attractive colloidal suspensions. Adhesive non-Brownian suspensions, in which the interparticle bonds are due to finite-size contacts, also show yielding behavior. We use a combination of steady-state, oscillatory and shear-reversal rheology to probe the physical origins of yielding in the latter class of materials, and find that yielding is not simply a matter of breaking adhesive bonds, but involves unjamming from a shear-jammed state in which the micro-structure has adapted to the direction of the applied load. Comparison with a recent constraint-based rhe…
The rheology of dense Brownian suspensions of hard spheres is investigated numerically beyond the low shear rate Newtonian regime. We analyze an athermal analogue of these suspensions, with an effective logarithmic repulsive potential representing the vibrational entropic forces. We show that both systems present the same rheology without adjustable parameters. Moreover, all rheological responses display similar Herschel-Bulkley relations once the shear stress and the shear rate are respectively rescaled by a characteristic stress scale and by a microscopic reorganization time-scale, both rela…
We study the rheology of confined suspensions of neutrally buoyant rigid monodisperse spheres in plane-Couette flow using Direct Numerical Simulations. We find that if the width of the channel is a (small) integer multiple of the sphere's diameter, the spheres self-organize into two-dimensional layers that slide on each other and the suspension's effective viscosity is significantly reduced. Each two-dimensional layer is found to be structurally liquid-like but their dynamics is frozen in time.
We study the injection of air in a granular suspension. We use a linear Hele-Saw cell filled with a suspension which is displaced by air, leading to a Saffman-Taylor (fingering) instability. For the suspension, we use an iso-dense mixture where the fluid and the particles have the same density. The volume fraction of particles can thus be adjusted over a wide range. We discuss the question of an effective rheology inside the cell as well as the pattern formation as a function of the granular compacity. We finally report results on the finger width for stable fingers and the thresholds for thei…
We propose a unifying rheological framework for dense suspensions of non-Brownian spheres, predicting the onsets of particle friction and particle inertia as distinct shear thickening mechanisms, while capturing quasistatic and soft particle rheology at high volume fractions and shear rates respectively. Discrete element method simulations that take suitable account of hydrodynamic and particle-contact interactions corroborate the model predictions, demonstrating both mechanisms of shear thickening, and showing that they can occur concurrently with carefully selected particle surface propertie…
We propose a simple model, supported by contact-dynamics simulations as well as rheology and friction measurements, that links the transition from continuous to discontinuous shear-thickening in dense granular pastes to distinct lubrication regimes in the particle contacts. We identify a local Sommerfeld number that determines the transition from Newtonian to shear-thickening flows, and then show that the suspension's volume fraction and the boundary lubrication friction coefficient control the nature of the shear-thickening transition, both in simulations and experiments.
Mechanical interactions between biological cells may be mediated by secreted products, making them dependent on the local particle density. Here, we explore the generic physics of density-dependent attractive interactions. We show using Brownian dynamics simulations that density-dependent interactions can produce interesting phase separation behaviour including control of aggregate size during a spinodal decomposition-like separation process. We show that these results are generic using continuum modelling of the appropriate Cahn-Hilliard equation. Our study suggests that density-dependent int…
Discontinuous shear-thickening in dense suspensions naturally emerges from the activation of frictional forces by shear flow in non-Brownian systems close to jamming. Yet, this physical picture is incomplete as most experiments study soft colloidal particles subject to thermal fluctuations. To characterise discontinuous shear-thickening in colloidal suspensions we use computer simulations to provide a complete description of the competition between athermal jamming, frictional forces, thermal motion, particle softness, and shear flow. We intentionally neglect hydrodynamics, electrostatics, lub…
There was an error in data reduction, resulting in incorrect values for the normal stress differences $N_1$ and $N_2$ shown in Figs. 7-10, and the corrected figures are shown here. In particular, the algebraic sign of $N_1$ is changed, as are the relative magnitudes of $N_1$ and $N_2$. The negative values of $N_1$ for these non-shear-thickening suspensions are larger in magnitude than those reported by other workers, but both $N_1$ and $N_2$ are in general agreement with the accelerated Stokesian Dynamics calculations of Sierou and Brady [1].
We derive equations of motion for the mean-squared displacement (MSD) of an active Brownian particle (ABP) in a crowded environment modeled by a dense system of passive Brownian particles, and of a passive tracer particle in a dense active-Brownian particle system, using a projection-operator scheme. The interaction of the tracer particle with the dense host environment gives rise to strong memory effects. Evaluating these approximately in the framework of a recently developed mode-coupling theory for the glass transition in active Brownian particles (ABP-MCT), we discuss the various regimes o…
We develop a rigid multiblob method for numerically solving the mobility problem for suspensions of passive and active rigid particles of complex shape in Stokes flow in unconfined, partially confined, and fully confined geometries. As in a number of existing methods, we discretize rigid bodies using a collection of minimally-resolved spherical blobs constrained to move as a rigid body, to arrive at a potentially large linear system of equations for the unknown Lagrange multipliers and rigid-body motions. Here we develop a block-diagonal preconditioner for this linear system and show that a st…
A consensus is emerging that discontinuous shear thickening (DST) in dense suspensions marks a transition from a flow state where particles remain well separated by lubrication layers, to one dominated by frictional contacts. We show here that reasonable assumptions about contact proliferation predict two distinct types of DST in the absence of inertia. The first occurs at densities above the jamming point of frictional particles; here the thickened state is completely jammed and (unless particles deform) cannot flow without inhomogeneity or fracture. The second regime shows strain- rate hyste…
We study the Saffman-Taylor instability in a non-Brownian suspension by injection of air. We find that flow structuration in the Hele-Shaw cell can be described by an effective viscosity depending on the volume fraction. When this viscosity is used to define the control parameter of the instability, the classical finger selection for Newtonian fluids is recovered. However, this picture breaks down when the cell thickness is decreased below approximatively 10 grain sizes. The discrete nature of the grains plays also a determinant role in the the early destabilization of the fingers observed. Th…
We study the avalanche dynamics of a pile of micron-sized silica grains in miniaturized rotating drums filled with water. Contrary to what is expected for classical granular materials, the avalanches do not stop at a finite angle of repose. Below an angle $θ$\_c, we observe a creep regime where the piles slowly flow until they become flat. In this regime, the relaxation is logarithmic in time and is slower when the ratio between the weight of the grains and the thermal agitation is increased. We propose a simple 1D model based on Kramer's escape rate to describe this flow.
Shear flow of dense, non-Brownian suspensions is simulated using the discrete element method, taking particle contact and hydrodynamic lubrication into account. The resulting flow regimes are mapped in the parametric space of solid volume fraction, shear rate, fluid viscosity and particle stiffness. Below a critical volume fraction $ϕ_c$, the rheology is governed by the Stokes number, which distinguishes between viscous and inertial flow regimes. Above $ϕ_c$, a quasistatic regime exists for low and moderate shear rates. At very high shear rates, the $ϕ$ dependence is lost and soft particle rhe…
We develop efficient numerical methods for performing many-body Brownian dynamics simulations of a recently-observed fingering instability in an active suspension of colloidal rollers sedimented above a wall [M. Driscoll, B. Delmotte, M. Youssef, S. Sacanna, A. Donev and P. Chaikin, Nature Physics, 2016, doi:10.1038/nphys3970]. We present a stochastic Adams-Bashforth integrator for the equations of Brownian dynamics, which has the same cost as but is more accurate than the widely-used Euler-Maruyama scheme, and uses a random finite difference to capture the stochastic drift proportional to the…
Transport properties of a hard-sphere colloidal fluid are investigated by Brownian dynamics simulations. We implement a novel algorithm for the time-dependent velocity-autocorrelation function (VACF) essentially eliminating the noise of the bare random motion. The measured VACF reveals persistent anti-correlations manifested by a negative algebraic power-law tail $t^{-5/2}$ at all densities. At small packing fractions, the simulations fully agree with the analytic low-density prediction, yet the amplitude of the tail becomes dramatically suppressed as the packing fraction is increased. The mod…
A system with multiple transient memories can remember a set of inputs but subsequently forgets almost all of them, even as they are continually applied. If noise is added, the system can store all memories indefinitely. The phenomenon has recently been predicted for cyclically sheared non-Brownian suspensions. Here we present experiments on such suspensions, finding behavior consistent with multiple transient memories and showing how memories can be stabilized by noise.
We analyze the behavior of a suspension of rigid rod-like particles in shear flow using a modified version of the Doi model, and construct diagrams for phase coexistence under conditions of constant imposed stress and constant imposed strain rate, among paranematic, flow-aligning nematic, and log-rolling nematic states. We calculate the effective constitutive relations that would be measured through the regime of phase separation into shear bands. We calculate phase coexistence by examining the stability of interfacial steady states and find a wide range of possible ``phase'' behaviors.
We simulate cluster formation of model colloidal particles interacting via DLVO (Derjaguin, Landau, Vervey, Overbeek) potentials. The interaction potentials can be related to experimental conditions, defined by the pH-value, the salt concentration and the volume fraction of solid particles suspended in water. The system shows different structural properties for different conditions, including cluster formation, a glass-like repulsive structure, or a liquid suspension. Since many simulations are needed to explore the whole parameter space, when investigating the properties of the suspension dep…
We show that a suspension of non-Brownian calcite particles in glycerol-water mixtures can be tuned continuously from being a yield-stress suspension to a shear-thickening suspension--without a measurable yield stress--by the addition of various surfactants. We interpret our results within a recent theoretical framework that models the rheological effects of stress-dependent constraints on inter-particle motion. Bare calcite particle suspensions are found to have finite yield stresses. In these suspensions, frictional contacts that constrain inter-particle sliding form at an infinitesimal appl…
Discontinuous shear thickening (DST) is associated with a sharp rise of a suspension's viscosity with increasing applied shear rate. A key signature of DST, highlighted in recent studies, is the very large fluctuations of the measured stress as the suspension thickens. A clear link between microstructural development and the dramatic increase of the stress fluctuations has not been established yet. To identify the microstructural underpinnings of this behavior, we perform simulations of sheared dense suspensions. By analyzing particle contact networks, we identify a subset of constrained parti…
There is a growing consensus that shear thickening of concentrated dispersions is driven by the formation of stress-induced frictional contacts. The Wyart-Cates (WC) model of this phenomenon, in which the microphysics of the contacts enters solely via the fraction $f$ of contacts that are frictional, can successfully fit flow curves for suspensions of weakly polydisperse spheres. However, its validity for "real-life", polydisperse suspensions has yet to be seriously tested. By performing systematic simulations on bidisperse mixtures of spheres, we show that the WC model applies only in the mon…
We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged particles and low salt concentrations. A description which is tractable under these conditions is obtained by treating the small dissociated and salt ions as continuous fields, while keeping the colloidal macroions as discrete particles. For each spatial configuration of the macroions, the electrostatic potential arising from all charges in the system is dete…
Dynamic particle-scale numerical simulations are used to show that the shear thickening observed in dense colloidal, or Brownian, suspensions is of a similar nature to that observed in non-colloidal suspensions, i.e., a stress-induced transition from a flow of lubricated near-contacting particles to a flow of a frictionally contacting network of particles. Abrupt (or discontinuous) shear thickening is found to be a geometric rather than hydrodynamic phenomenon; it stems from the strong sensitivity of the jamming volume fraction to the nature of contact forces between suspended particles. The t…
We show that the shear-induced solidification of dilute charge-stabilized (DLVO) colloids is due to the interplay between the shear-induced formation and breakage of large non-Brownian clusters. While their size is limited by breakage, their number density increases with the shearing-time. Upon flow cessation, the dense packing of clusters interconnects into a rigid state by means of grainy bonds, each involving a large number of primary colloidal bonds. The emerging picture of shear-driven solidification in dilute colloidal suspensions combines the gelation of Brownian systems with the jammin…
Phototaxis is the movement of microorganisms towards or away from light. In presence of dim (intense) light, microorganisms move towards (away from) the light sources, which is known as positive (negative) phototaxis. In this study, we present a model in which isotropic scattering algae suspension is illuminated by both diffuse and collimated irradiation, and the top surface is assumed to be rigid. Bimodal steady states result from the scattering Effect (for almost purely scattering suspension), which transits into a unimodal steady state as diffuse light intensity increases. The linear stabil…
Theory and simulation of Brownian colloids suspended in an implicit solvent, with the hydrodynamics of the fluid accounted for by effective interactions between the colloids, are shown to yield a marked and hitherto unobserved discrepancy between the viscosity calculated from the average shear stress under an imposed shear rate in the Stokesian regime and the viscosity extracted by the Green-Kubo formalism from the auto-correlations of thermal stress fluctuations in quiescent equilibrium. We show that agreement between both methods is recovered by accounting for the fluctuating Brownian stress…
We use large scale computer simulations and finite size scaling analysis to study the shear rheology of dense three-dimensional suspensions of frictionless non-Brownian particles in the vicinity of the jamming transition. We perform simulations of soft repulsive particles at constant shear rate, constant pressure, and finite system size, and study carefully the asymptotic limits of large system sizes and infinitely hard particle repulsion. Extending earlier analysis by about two orders of magnitude, we first study the asymptotic behavior of the shear viscosity in the hard particle limit. We co…
We perform local measurements of both the shear rate and the particle fraction to study viscous resuspension in non-Brownian suspensions. A suspension of PMMA spherical particles dispersed in a lighter Newtonian fluid (Triton X100) is sheared in a vertical Couette cell. The vertical profiles of the particle volume fraction are measured for Shields numbers ranging from 10 --3 to 1, and the variation in the particle normal stress in the vorticity direction of the particle fraction is deduced.
We simulate with hydrodynamics a suspension of active disks squirming through a Newtonian fluid. We explore numerically the full range of squirmer area fractions from dilute to close packed and show that "motility induced phase separation" (MIPS), which was recently proposed to arise generically in active matter, and which has been seen in simulations of active Brownian disks, is strongly suppressed by hydrodynamic interactions. We give an argument for why this should be the case and support it with counterpart simulations of active Brownian disks in a parameter regime that provides a closer c…
We apply a hybrid Molecular Dynamics and mesoscopic simulation technique to study the steady-state sedimentation of hard sphere particles for Peclet numbers (Pe) ranging from 0.08 to 12. Hydrodynamic back-flow causes a reduction of the average sedimentation velocity relative to the Stokes velocity. We find that this effect is independent of Pe number. Velocity fluctuations show the expected effects of thermal fluctuations at short correlation times. At longer times, non-equilibrium hydrodynamic fluctuations are visible, and their character appears to be independent of the thermal fluctuations.…
We use a mesoscopic computer simulation method to study the interplay between hydrodynamic and Brownian fluctuations during steady-state sedimentation of hard sphere particles for Peclet numbers (Pe) ranging from 0.1 to 15. Even when the hydrodynamic interactions are an order of magnitude weaker than Brownian forces, they still induce backflow effects that dominate the reduction of the average sedimentation velocity with increasing particle packing fraction. Velocity fluctuations, on the other hand, begin to show nonequilibrium hydrodynamic character for Pe > 1
Aging in a two dimensional suspension containing rods was studied by means of kinetic Monte Carlo simulations. An off-lattice model with continuous positional and orientational degrees of freedom was considered. The initial state was produced using a random sequential adsorption model. During the aging, the rods underwent translational and rotational Brownian motions. The simulations were run at different values of number density (the number of rods per unit area), $ρ$, and of the initial orientation order parameter, $S_i$. The rods were assumed to have core---shell structures. The evolutions …
We propose a unifying mechanism based on the Stribeck curve for the coefficient of friction between the particles to capture the shear thinning - Newtonian plateau - shear thickening - shear thinning rheological behavior at low - intermediate - beyond critical - high shear rates, respectively, for a typical dense non-Brownian suspension. We establish the accuracy of the proposed model by comparing the numerical results with experimental data. The presence of non-DLVO (Derjaguin and Landau, Verwey and Overbeek) forces and a coefficient of friction reducing with asperity deformation explain the …
Dense non-Brownian suspensions including both the hydrodynamic interactions and the frictional contacts between particles are numerically studied under simple and oscillatory shears in terms of the lattice Boltzmann method. We successfully reproduce the discontinuous shear thickening (DST) under a simple shear for bulk three-dimensional systems. For our simulation of an oscillatory shear in a quasi-two-dimensional system, we measure the mechanical response when we reduce the strain amplitude after the initial oscillations with a larger strain amplitude. Here, we find the existence of the shear…
We report Brownian dynamics simulation of the out-of-equilibrium dynamics (aging) in a colloidal suspension composed of rigid charged disks, one possible model for Laponite, a synthetic clay deeply investigated in the last few years by means of various experimental techniques. At variance with previous numerical investigations, mainly focusing on static structure and equilibrium dynamics, we explore the out-of-equilibrium aging dynamics. We analyze the wave-vector and waiting time dependence of the dynamics, focusing on the single-particle and collective density fluctuations (intermediate scat…
A systematic microscopic theory for the rheology of dense non-Brownian suspensions characterized by the volume fraction $φ$ is developed. The theory successfully derives the critical behavior in the vicinity of the jamming point (volume fraction $φ_{J}$), for both the pressure $P$ and the shear stress $σ_{xy}$, i.e. $P \sim σ_{xy} \sim \dotγη_0 δφ^{-2}$, where $\dotγ$ is the shear rate, $η_0$ is the shear viscosity of the solvent, and $δφ= φ_J - φ> 0$ is the distance from the jamming point. It also successfully describes the behavior of the stress ratio $μ= σ_{xy}/P$ with respect to the viscou…
Tunable shear thickening in active frictional non-Brownian suspensions
School of Engineering, University of Edinburgh（爱丁堡大学工程学院）；Department of Physics, Indian Institute of Science Education and Research Pune（印度科学教育研究所浦那分校物理系）
We present experimental results on dense corn-starch suspensions as examples of non-Brownian, nearly-hard particles that undergo continuous and discontinuous shear thickening (CST and DST) at intermediate and high densities respectively. Our results offer strong support for recent theories involving a stress-dependent effective contact friction among particles. We show however that in the DST regime, where theory might lead one to expect steady-state shear bands oriented layerwise along the vorticity axis, the real flow is unsteady. To explain this, we argue that steady-state banding is generi…
We investigate a model for a Stirling-like engine consisting of a passive Brownian particle confined by a harmonic potential and interacting with a suspension of active Brownian particles that self-propel in a viscous solvent, which cyclically operates under isothermal conditions by means of temporal variations of the trap stiffness and the self-propulsion speed of the active particles. We derive an effective stochastic equation of motion of the trapped Brownian particle, which includes a friction memory kernel as well as thermal and active fluctuating forces due to its coupling with the activ…
In addition to enabling movement towards environments with favourable living conditions, swimming by microorganisms has also been linked to enhanced mixing and improved nutrient uptake by their populations. Experimental studies have shown that Brownian tracer particles exhibit enhanced diffusion due to the swimmers, while theoretical models have linked this increase in diffusion to the flows generated by the swimming microorganisms, as well as collisions with the swimmers. In this study, we perform detailed simulations based on the force-coupling method and its recent extensions to the swimmin…
We derive the hydrodynamic equations of motion for a fluid of active particles described by under- damped Langevin equations that reduce to the Active-Brownian-Particle model, in the overdamped limit. The contraction into the hydrodynamic description is performed by locally averaging the par- ticle dynamics with the non-equilibrium many-particle probability density, whose formal expression is found in the physically relevant limit of high-friction through a multiple-time-scale analysis. This approach permits to identify the conditions under which self-propulsion can be subsumed into the fluid …
Shear thickening appears as an increase of the viscosity of a dense suspension with the shear rate, sometimes sudden and violent at high volume fraction. Its origin for noncolloidal suspension with non-negligible inertial effects is still debated. Here we consider a simple shear flow and demonstrate that fluid inertia causes a strong microstructure anisotropy that results in the formation of a shadow region with no relative flux of particles. We show that shear thickening at finite inertia can be explained as an increase of the effective volume fraction when considering the dynamically exclude…
Fluctuating hydrodynamics has been successfully combined with several computational methods to rapidly compute the correlated random velocities of Brownian particles. In the overdamped limit where both particle and fluid inertia are ignored, one must also account for a Brownian drift term in order to successfully update the particle positions. In this paper, we present an efficient computational method for the dynamic simulation of Brownian suspensions with fluctuating hydrodynamics that handles both computations and provides a similar approximation as Stokesian Dynamics for dilute and semidil…
Immiscible contaminants are commonly involved in naturally occurring suspensions. The resulting variations of their flow behavior has rarely been evaluated. Here, we investigate the variation of the viscosity of the oil-based two-phase suspension over a period of two years, which is exposed to the ambient air at the production stage. We find that the air's absolute humidity, which strongly varies with the seasons, causes exchanges of water droplets with the suspension, substantially altering its shear-thinning behavior. Only in winter, when the humidity is low, is the latter close to that of i…
While the theory of diffusion of a single Brownian particle in confined geometries is well-established by now, we discuss here the theoretical framework necessary to generalize the theory of diffusion to dense suspensions of strongly interacting Brownian particles. Dynamical density functional theory (DDFT) for classical Brownian particles represents an ideal tool for this purpose. After outlining the basic ingredients to DDFT we show that it can be readily applied to flowing suspensions with time-dependent particle sources. Particle interactions lead to considerable layering in the mean densi…
