Nanoscale simulations of directional locking

When particles suspended in a fluid are driven through a regular lattice of cylindrical obstacles, the particle motion is usually not simply in the direction of the force, and in the high Peclet number limit particle trajectories tend to lock along certain lattice directions. By means of molecular dynamics simulations we show that this effect persists in the presence of molecular diffusion for nanoparticle flows, provided the Peclet number is not too small. We examine the effects of varying particle and obstacle size, the method of forcing, solid roughness, and particle concentration. While we observe trajectory locking in all cases, the degree of locking varies with particle size and these flows may have application as a separation technique

Deterministic and stochastic behaviour of non-Brownian spheres in sheared suspensions

The dynamics of macroscopically homogeneous sheared suspensions of neutrally buoyant, non-Brownian spheres is investigated in the limit of vanishingly small Reynolds numbers using Stokesian dynamics. We show that the complex dynamics of sheared suspensions can be characterized as a chaotic motion in phase space and determine the dependence of the largest Lyapunov exponent on the volume fraction $\phi$. The loss of memory at the microscopic level of individual particles is also shown in terms of the autocorrelation functions for the two transverse velocity components. Moreover, a negative correlation in the transverse particle velocities is seen to exist at the lower concentrations, an effect which we explain on the basis of the dynamics of two isolated spheres undergoing simple shear. In addition, we calculate the probability distribution function of the velocity fluctuations and observe, with increasing $\phi$, a transition from exponential to Gaussian distributions. The simulations include a non-hydrodynamic repulsive interaction between the spheres which qualitatively models the effects of surface roughness and other irreversible effects, such as residual Brownian displacements, that become particularly important whenever pairs of spheres are nearly touching. We investigate the effects of such a non-hydrodynamic interparticle force on the scaling of the particle tracer diffusion coefficient $D$ for very dilute suspensions, and show that, when this force is very short-ranged, $D$ becomes proportional to $\phi^2$ as $\phi \to 0$. In contrast, when the range of the non-hydrodynamic interaction is increased, we observe a crossover in the dependence of $D$ on $\phi$, from $\phi^2$ to $\phi$ as $\phi \to 0$.Comment: Submitted to J. Fluid Mec

Microstructure and velocity fluctuations in sheared suspensions

The velocity fluctuations present in macroscopically homogeneous suspensions of neutrally buoyant, non-Brownian spheres undergoing simple shear flow, and their dependence on the microstructure developed by the suspensions, are investigated in the limit of vanishingly small Reynolds numbers using Stokesian dynamics simulations. We show that, in the dilute limit, the standard deviation of the velocity fluctuations is proportional to the volume fraction, in both the transverse and the flow directions, and that a theoretical prediction, which considers only for the hydrodynamic interactions between isolated pairs of spheres, is in good agreement with the numerical results at low concentrations. We also simulate the velocity fluctuations that would result from a random hard-sphere distribution of spheres in simple shear flow, and thereby investigate the effects of the microstructure on the velocity fluctuations. Analogous results are discussed for the fluctuations in the angular velocity of the suspended spheres. In addition, we present the probability density functions for all the linear and angular velocity components, and for three different concentrations, showing a transition from a Gaussian to an Exponential and finally to a Stretched Exponential functional form as the volume fraction is decreased. We also show that, although the pair distribution function recovers its fore-aft symmetry in dilute suspensions, it remains anisotropic and that this anisotropy can be accurately described by assuming the complete absence of any permanent doublets of spheres. We finally present a simple correction to the analysis of laser-Doppler velocimetry measurements.Comment: Submitted to Journal of Fluid Mechanic

Lattice-Boltzmann Method for Non-Newtonian Fluid Flows

We study an ad hoc extension of the Lattice-Boltzmann method that allows the simulation of non-Newtonian fluids described by generalized Newtonian models. We extensively test the accuracy of the method for the case of shear-thinning and shear-thickening truncated power-law fluids in the parallel plate geometry, and show that the relative error compared to analytical solutions decays approximately linear with the lattice resolution. Finally, we also tested the method in the reentrant-flow geometry, in which the shear-rate is no-longer a scalar and the presence of two singular points requires high accuracy in order to obtain satisfactory resolution in the local stress near these points. In this geometry, we also found excellent agreement with the solutions obtained by standard finite-element methods, and the agreement improves with higher lattice resolution

Transport in rough self-affine fractures

Transport properties of three-dimensional self-affine rough fractures are studied by means of an effective-medium analysis and numerical simulations using the Lattice-Boltzmann method. The numerical results show that the effective-medium approximation predicts the right scaling behavior of the permeability and of the velocity fluctuations, in terms of the aperture of the fracture, the roughness exponent and the characteristic length of the fracture surfaces, in the limit of small separation between surfaces. The permeability of the fractures is also investigated as a function of the normal and lateral relative displacements between surfaces, and is shown that it can be bounded by the permeability of two-dimensional fractures. The development of channel-like structures in the velocity field is also numerically investigated for different relative displacements between surfaces. Finally, the dispersion of tracer particles in the velocity field of the fractures is investigated by analytic and numerical methods. The asymptotic dominant role of the geometric dispersion, due to velocity fluctuations and their spatial correlations, is shown in the limit of very small separation between fracture surfaces.Comment: submitted to PR

Coherent and Incoherent Vortex Flow States in Crossed Channels

We examine vortex flow states in periodic square pinning arrays with one row and one column of pinning sites removed to create an easy flow crossed channel geometry. When a drive is simultaneously applied along both major symmetry axes of the pinning array such that vortices move in both channels, a series of coherent flow states develop in the channel intersection at rational ratios of the drive components in each symmetry direction when the vortices can cross the intersection without local collisions. The coherent flow states are correlated with a series of anomalies in the velocity force curves, and in some cases can produce negative differential conductivity. The same general behavior could also be realized in other systems including colloids, particle traffic in microfluidic devices, or Wigner crystals in crossed one-dimensional channels.Comment: 5 pages, 4 postscript figure

Separation of suspended particles in microfluidic systems by directional-locking in periodic fields

We investigate the transport and separation of overdamped particles under the action of a uniform external force in a two-dimensional periodic energy landscape. Exact results are obtained for the deterministic transport in a square lattice of parabolic, repulsive centers that correspond to a piecewise-continuous linear-force model. The trajectories are periodic and commensurate with the obstacle lattice and exhibit phase-locking behavior in that the particle moves at the same average migration angle for a range of orientation of the external force. The migration angle as a function of the orientation of the external force has a Devil's staircase structure. The first transition in the migration angle was analyzed in terms of a Poincare map, showing that it corresponds to a tangent bifurcation. Numerical results show that the limiting behavior for impenetrable obstacles is equivalent to the high Peclet number limit in the case of transport of particles in a periodic pattern of solid obstacles. Finally, we show how separation occurs in these systems depending on the properties of the particles

Permeability of self-affine rough fractures

The permeability of two-dimensional fractures with self-affine fractal roughness is studied via analytic arguments and numerical simulations. The limit where the roughness amplitude is small compared with average fracture aperture is analyzed by a perturbation method, while in the opposite case of narrow aperture, we use heuristic arguments based on lubrication theory. Numerical simulations, using the lattice Boltzmann method, are used to examine the complete range of aperture sizes, and confirm the analytic arguments.Comment: 11 pages, 9 figure