R. Adhikari

Fluctuating lattice Boltzmann

The lattice Boltzmann algorithm efficiently simulates the Navier-Stokes equation of isothermal fluid flow, but ignores thermal fluctuations of the fluid, important in mesoscopic flows. We show how to adapt the algorithm to include noise, satisfying a fluctuation-dissipation theorem (FDT) directly at lattice level: this gives correct fluctuations for mass and momentum densities, and for stresses, at all wave vectors k. Unlike previous work, which recovers FDT only as k → 0, our algorithm offers full statistical mechanical consistency in mesoscale simulations of, e.g., fluctuating colloidal hydrodynamics.

Run-and-Tumble Particles with Hydrodynamics: Sedimentation, Trapping, and Upstream Swimming

We simulate by lattice Boltzmann the nonequilibrium steady states of run-and-tumble particles (inspired by a minimal model of bacteria), interacting by far-field hydrodynamics, subject to confinement. Under gravity, hydrodynamic interactions barely perturb the steady state found without them, but for particles in a harmonic trap such a state is quite changed if the run length is larger than the confinement length: a self-assembled pump is formed. Particles likewise confined in a narrow channel show a generic upstream flux in Poiseuille flow: chiral swimming is not required.

Simulating colloid hydrodynamics with lattice Boltzmann methods

We present a progress report on our work on lattice Boltzmann methods for colloidal suspensions. We focus on the treatment of colloidal particles in binary solvents and on the inclusion of thermal noise. For a benchmark problem of colloids sedimenting and becoming trapped by capillary forces at a horizontal interface between two fluids, we discuss the criteria for parameter selection, and address the inevitable compromise between computational resources and simulation accuracy.

Arrest of fluid demixing by nanoparticles: A computer simulation study

We use lattice Boltzmann simulations to investigate the formation of arrested structures upon demixing of a binary solvent containing neutrally wetting colloidal particles. Previous simulations for symmetric fluid quenches pointed to the formation of bijels: bicontinuous interfacially jammed emulsion gels. These should be created when a glassy monolayer of particles forms at the fluid-fluid interface, arresting further demixing and rigidifying the structure. Experimental work has broadly confirmed this scenario, but it shows that bijels can also be formed in volumetrically asymmetric quenches. Here, we present new simulation results for such quenches, compare these to the symmetric case, and find a crossover to an arrested droplet phase at strong asymmetry. We then make extensive new analyses of the postarrest dynamics in our simulated bijel and droplet structures, on time scales comparable to the Brownian time for colloid motion. Our results suggest that, on these intermediate time scales, the effective activation barrier to ejection of particles from the fluid-fluid interface is smaller by at least 2 orders of magnitude than the corresponding barrier for an isolated particle on a flat interface.

Lattice Boltzmann for Binary Fluids with Suspended Colloids

A new description of the binary fluid problem via the lattice Boltzmann method is presented which highlights the use of the moments in constructing two equilibrium distribution functions. This offers a number of benefits, including better isotropy, and a more natural route to the inclusion of multiple relaxation times for the binary fluid problem. In addition, the implementation of solid colloidal particles suspended in the binary mixture is addressed, which extends the solid–fluid boundary conditions for mass and momentum to include a single conserved compositional order parameter. A number of simple benchmark problems involving a single particle at or near a fluid–fluid interface are undertaken and show good agreement with available theoretical or numerical results

Physical and computational scaling issues in lattice Boltzmann simulations of binary fluid mixtures

We describe some scaling issues that arise when using lattice Boltzmann (LB) methods to simulate binary fluid mixtures—both in the presence and absence of colloidal particles. Two types of scaling problem arise: physical and computational. Physical scaling concerns how to relate simulation parameters to those of the real world. To do this effectively requires careful physics, because (in common with other methods) LB cannot fully resolve the hierarchy of length, energy and time-scales that arise in typical flows of complex fluids. Care is needed in deciding what physics to resolve and what to leave unresolved, particularly when colloidal particles are present in one or both of two fluid phases. This influences steering of simulation parameters such as fluid viscosity and interfacial tension. When the physics is anisotropic (for example, in systems under shear) careful adaptation of the geometry of the simulation box may be needed; an example of this, relating to our study of the effect of colloidal particles on the Rayleigh–Plateau instability of a fluid cylinder, is described. The second and closely related set of scaling issues are computational in nature: how do you scale-up simulations to very large lattice sizes? The problem is acute for systems undergoing shear flow. Here one requires a set of blockwise co-moving frames to the fluid, each connected to the next by a Lees–Edwards like boundary condition. These matching planes lead to small numerical errors whose cumulative effects can become severe; strategies for minimizing such effects are discussed.

Singular forces and pointlike colloids in lattice Boltzmann hydrodynamics

We present an accurate method to include arbitrary singular distributions of forces in the lattice Boltzmann formulation of hydrodynamics. We validate our method with several examples involving Stokeslet, stresslet, and rotlet singularities, finding excellent agreement with analytical results. A minimal model for sedimenting particles is presented using the method. In the dilute limit, this model has accuracy comparable to, but computational efficiency much greater than, algorithms that explicitly resolve the size of the particles.

Thermal fluctuations in the lattice Boltzmann method for nonideal fluids.

We introduce thermal fluctuations in the lattice Boltzmann method for nonideal fluids. A fluctuation-dissipation theorem is derived within the Langevin framework and applied to a specific lattice Boltzmann model that approximates the linearized fluctuating Navier-Stokes equations for fluids based on square-gradient free-energy functionals. The obtained thermal noise is shown to ensure equilibration of all degrees of freedom in a simulation to high accuracy. Furthermore, we demonstrate that satisfactory results for most practical applications of fluctuating hydrodynamics can already be achieved using thermal noise derived in the long-wavelength limit.

Nonequilibrium steady states in sheared binary fluids

We simulate by lattice Boltzmann the steady shearing of a binary fluid mixture undergoing phase separation with full hydrodynamics in two dimensions. Contrary to some theoretical scenarios, a dynamical steady state is attained with finite domain lengths L(x,y) in the directions (x,y) of velocity and velocity gradient. Apparent scaling exponents are estimated as Lx approximately gamma (-2/3) and Ly approximately gamma(-3/4). We discuss the relative roles of diffusivity and hydrodynamics in attaining steady state.

Duality in matrix lattice Boltzmann models.

The notion of duality between the hydrodynamic and kinetic (ghost) variables of lattice kinetic formulations of the Boltzmann equation is introduced. It is suggested that this notion can serve as a guideline in the design of matrix versions of the lattice Boltzmann equation in a physically transparent and computationally efficient way.