Stress tensors are derived for the multiparticle collision dynamics algorithm, a particle-based mesoscale simulation method for fluctuating fluids, resembling those of atomistic or molecular systems. Systems with periodic boundary conditions as well as fluids confined in a slit are considered. For every case, two equivalent expressions for the tensor are provided, the internal stress tensor, which involves all degrees of freedom of a system, and the external stress, which only includes the interactions with the confining surfaces. In addition, stress tensors for a system with embedded particles are determined. Based on the derived stress tensors, analytical expressions are calculated for the shear viscosity. Simulations illustrate the difference in fluctuations between the various derived expressions and yield very good agreement between the numerical results and the analytically derived expression for the viscosity.
We present an extension of the multiparticle collision dynamics method for flows with complex interfaces, including supramolecular near-contact interactions mimicking the effect of surfactants. The new method is demonstrated for the case of (i) short range repulsion of droplets in close contact, (ii) arrested phase separation and (iii) different pattern formation during spinodal decomposition of binary mixtures.
Multiparticle collision dynamics is a modern coarse-grained simulation technique to treat the hydrodynamics of Newtonian fluids by solving the Navier-Stokes equations. Naturally, it also includes thermal noise. Initially it has been applied extensively to spherical colloids or bead-spring polymers immersed in a fluid. Here, we review and discuss the use of multiparticle collision dynamics for studying the motion of spherical model microswimmers called squirmers moving in viscous fluids.
The emergent fluctuating hydrodynamics of a viscoelastic fluid modeled by the multiparticle collision dynamics (MPC) approach is studied. The fluid is composed of flexible, Gaussian phantom polymers, which interact by local momentum-conserving stochastic MPC collisions. For comparison, the analytical solution of the linearized Navier-Stokes equation is calculated, where viscoelasticity is taken into account by a time-dependent shear relaxation modulus. The fluid properties are characterized by the transverse velocity autocorrelation function in Fourier space as well as in real space. Various p…
The nonequilibrium hydrodynamic correlations of a Multiparticle-Collision-Dynamics (MPC) fluid in shear flow are studied by analytical calculations and simulations. The Navier-Stokes equations for a MPC fluid are linearized about the shear flow and the hydrodynamic modes are evaluated as an expansion in the momentum vector. The shear-rate dependence and anisotropy of the transverse and longitudinal velocity correlations are analyzed. We demonstrate that hydrodynamic correlations in shear flow are anisotropic, specifically, the two transverse modes are no longer identical. In addition, our simu…
The residual multiparticle entropy (RMPE) of a fluid is defined as the difference, $Δs$, between the excess entropy per particle (relative to an ideal gas with the same temperature and density), $s_\text{ex}$, and the pair-correlation contribution, $s_2$. Thus, the RMPE represents the net contribution to $s_\text{ex}$ due to spatial correlations involving three, four, or more particles. A heuristic `ordering' criterion identifies the vanishing of the RMPE as an underlying signature of an impending structural or thermodynamic transition of the system from a less ordered to a more spatially orga…
We present a multiparticle collision dynamics (MPC) implementation of layered immiscible fluids $A$ and $B$ of different shear viscosities separated by planar interfaces. The simulated flow profile for imposed steady shear motion and the time-dependent shear stress functions are in excellent agreement with our continuum hydrodynamics results for the composite fluid. The wave-vector dependent transverse velocity auto-correlation functions (TVAF) in the bulk-fluid regions of the layers decay exponentially, and agree with those of single-phase isotropic MPC fluids. In addition, we determine the h…
Multiparticle collision dynamics (MPCD) enables to simulate fluid dynamics including both hydrodynamics and thermal fluctuations. Its main use concerns complex fluids, where the solvent interacts with concentrated solutes, may they be colloidal particles, polymers or electrolytes. A key difficulty concerns the way one couples the fluid to the solute particles, without losing the key advantages of the MPCD method in term of computational efficiency. In this paper, we investigate the dynamical properties of solutes that are coupled to the fluid within the collision step, {\em i.e.} when local mo…
Multiparticle collision dynamics (MPC), a particle-based mesoscale simulation technique for com- plex fluid, is widely employed in non-equilibrium simulations of soft matter systems. To maintain a defined thermodynamic state, thermalization of the fluid is often required for certain MPC variants. We investigate the influence of three thermostats on the non-equilibrium properties of a MPC fluid under shear or in Poiseuille flow. In all cases, the local velocities are scaled by a factor, which is either determined via a local simple scaling approach (LSS), a Monte Carlo-like procedure (MCS), or …
Multiparticle collision dynamics (MPCD) is a flexible and robust mesoscale computational technique for simulating solvent-mediated hydrodynamic interactions in soft materials. Here, we provide a critical overview of the MPCD method and summarize its current strengths and limitations. The capabilities of the method are highlighted by reviewing its recent applications to simulate diverse phenomena, ranging from the flow of complex fluids and thermo-osmotic transport to bacterial swimming and active particle self-assembly. We also discuss outstanding challenges and emerging methodological develop…
In this review we discuss the recent progress in the simulation of soft active matter systems and in particular the hydrodynamics of microswimmers using the method of multiparticle collision dynamics, which solves the hydrodynamic flows around active objects on a coarse-grained level. We first present a brief overview of the basic simulation method and the coupling between microswimmers and fluid. We then review the current achievements in simulating flexible and rigid microswimmers using multiparticle collision dynamics, and briefly conclude and discuss possible future directions.
The friction and diffusion coefficients of rigid spherical colloidal particles dissolved in a fluid are determined from velocity and force autocorrelation functions by mesoscale hydrodynamic simulations. Colloids with both slip and no-slip boundary conditions are considered, which are embedded in fluids modelled by multiparticle collision dynamics (MPC) with and without angular momentum conservation. For no-slip boundary conditions, hydrodynamics yields the well-known Stokes law, while for slip boundary conditions the lack of angular momentum conservation leads to a reduction of the hydrodynam…
We develop an elasto-plastic description for the transient dynamics prior to steady flow of athermally yielding materials. Our mean-field model not only reproduces the experimentally observed non-linear time dependence of the shear-rate response to an external shear-stress, but also allows for the determination of the different physical processes involved in the onset of the re-acceleration phase after the initial critical slowing down and a distinct well defined fluidization phase. The evidenced power-law dependence of the fluidization time on the distance of the applied to an age dependent s…
Using three-dimensional representation of confluent cell layers, we map the amorphous solid to fluid phase transition in active cell layers onto the two-dimensional (2D) site percolation universality class. Importantly, we unify two distinct, predominant, pathways associated with this transition; namely (i) cell-cell adhesion and (ii) active traction forces. For each pathway, we independently vary the corresponding control parameter and focus on the emergent mechanical stress patterns as the monolayer transitions from a glassy- to a fluid-like state. Through finite-size scaling analyses, our r…
The conformational and dynamical properties of active Brownian polymers embedded in a fluid depend on the nature of the driving mechanism, e.g., self-propulsion or external actuation of the monomers. Implementations of self-propelled and actuated active Brownian polymers in a multiparticle collision dynamics (MPC) fluid are presented, which capture the distinct differences between the two driving mechanisms. The active force-free nature of self-propelled monomers requires adaptations of the MPC simulation scheme, with its streaming and collision steps, where the monomer self-propulsion velocit…
Motivated by the industrial processing of chocolate, we study experimentally the fluidisation of a sessile drop of yield-stress fluid on a pre-existing layer of the same fluid under vertical sinusoidal oscillations. We compare the behaviours of molten chocolate and Carbopol which are both shear-thinning with a similar yield stress but exhibit very different elastic properties. We find that these materials spread when the forcing acceleration exceeds a threshold which is determined by the initial deposition process. However, they exhibit very different spreading behaviours: whereas chocolate ex…
The prediction of the first fluidized path of a yield-stress fluid in complex porous media is a challenging yet an important task to understand the fundamentals of fluid flow in several industrial and biological processes. In most cases, the conditions that open this first path are known either through experiments or expensive computations. Here, we present a simple network model to predict the first open channel for a yield-stress fluid in a complex porous medium. For porous media made of non-overlapping disks, we find that the pressure drop required to open the first channel for given yield …
Starting from the stochastic equation for the density operator, we formulate the exact (instantaneous) stress tensor for interacting Brownian particles, whose average value agrees with expressions derived previously. We analyze the relation between the stress tensor and forces on external potentials, and observe that, out of equilibrium, particle currents give rise to extra forces. Next, we derive the stress tensor for a Landau-Ginzburg theory in non-equilibrium situations, finding an expression analogous to that of the exact microscopic stress tensor, and discuss the computation of out-of-equ…
Normal stresses in complex fluids lead to new flow phenomena because they can be comparable to or even larger than the shear stress itself. In addition, they are of paramount importance for formulating and testing constitutive equations for predicting non-viscometric flow behavior. Very little attention has so far been paid to the normal stresses of yield stress fluids, mainly because they are very difficult to measure. We report the first systematic study of the first and second normal stress differences, N1 (>0) and N2 (<0), in both continuous and oscillatory shear of three model yield stres…
The ubiquitous wall slip behavior of viscoplastic fluids renders the analysis of their steady torsional flow data to determine their yield stress and other parameters of their shear viscosity material function challenging. Roughened surfaces to prevent wall slip can be used but such methods frequently result in the fracturing of the sample. Instead, it is shown here that the yield stress of a viscoplastic fluid can be determined from the torque versus apparent shear rate data of steady torsional flow using a single gap. The step change in the slope of the torque versus apparent shear rate data…
We observe a novel type of shear banding in the rheology of thixotropic yield-stress fluids that is due to the coupling of both non-locality and thixotropy. The latter is known to lead to shear banding even in homogeneous stress fields, but the bands observed in the presence of non-local effects appear different as the shear rate varies continuously over the shear band. Here, we introduce a simple non-local model for the shear banding (NL-SB), and we implement it for the analysis of micron-scale rheo-MRI velocimetry measurements of a milk microgel suspension in a cone-and-plate geometry. The p…
We have performed surface tension measurements on carbopol gels of different concentrations and yield stresses. Our setup, based on the force exerted by a capillary bridge on two parallel plates, allows to measure an effective surface tension of the complex fluid and to investigate the influence of flow history. More precisely the effective surface tension measured after stretching the bridge is always higher than after compressing it. The difference between the two values is due to the existence of a yield stress in the fluid. The experimental observations are successfully reproduced with a s…
Suspensions of self-propelled bodies generate a unique mechanical stress owing to their motility that impacts their large-scale collective behavior. For microswimmers suspended in a fluid with negligible particle inertia, we have shown that the virial `swim stress' is a useful quantity to understand the rheology and nonequilibrium behaviors of active soft matter systems. For larger self-propelled organisms like fish, it is unclear how particle inertia impacts their stress generation and collective movement. Here, we analyze the effects of finite particle inertia on the mechanical pressure (or …
