Abstract:
The surface impact and collisions of particle-laden nanodrops are studied using molecular dynamics computer simulations. The drops are composed of Lennard- Jones dimers and the particles are rigid spherical sections of a cubic lattice, with radii about 11 nm and 0.6 nm, respectively. Uniform suspensions of 21% and 42% particle concentrations and particle-coated drops are studied, and their behavior is compared to that of pure fluid drops of the same size. The relative velocities studied span the transition to splashing, and both wetting/miscible and non-wetting/immiscible cases are considered. Impacts normal to the surface and head-on collisions are studied and compared. In surface impact, the behavior of low-density suspensions and liquid marble drops is qualitatively similar to that of pure liquid, while the concentrated drops are solid-like on impact. Collisions produce a splash only at velocities signif- icantly higher than in impact, but the resulting drop morphology shows a similar dependence on solid concentration as in impact. In all cases the collision or impact produces a strong local enhancement in the kinetic energy density and temperature but not in the particle or potential energy densities. Mixing of the two colliding species is not enhanced by collisions, unless the velocity is so high as to cause drop disintegration.

Abstract:
The two-dimensional pressure driven flow of non-Newtonian power-law fluids in self-affine fracture channels at finite Reynolds number is calculated. The channels have constant mean aperture and two values $\zeta$=0.5 and 0.8 of the Hurst exponent are considered. The calculation is based on the lattice-Boltzmann method, using a novel method to obtain a power-law variation in viscosity, and the behavior of shear-thinning, Newtonian and shear-thickening liquids is compared. Local aspects of the flow fields, such as maximum velocity and pressure fluctuations, were studied, and the non-Newtonian fluids were compared to the (previously-studied) Newtonian case. The permeability results may be collapsed into a master curve of friction factor vs. Reynolds number using a scaling similar to that employed for porous media flow, and exhibits a transition from a linear regime to a more rapid variation at Re increases.

Abstract:
As a first step in the first passage problem for passive tracer in stratified porous media, we consider the case of a two-dimensional system consisting of two layers with different convection velocities. Using a lattice generating function formalism and a variety of analytic and numerical techniques, we calculate the asymptotic behavior of the first passage time probability distribution. We show analytically that the asymptotic distribution is a simple exponential in time for any choice of the velocities. The decay constant is given in terms of the largest eigenvalue of an operator related to a half-space Green's function. For the anti-symmetric case of opposite velocities in the layers, we show that the decay constant for system length $L$ crosses over from $L^{-2}$ behavior in diffusive limit to $L^{-1}$ behavior in the convective regime, where the crossover length $L^*$ is given in terms of the velocities. We also have formulated a general self-consistency relation, from which we have developed a recursive approach which is useful for studying the short time behavior.

Abstract:
We present a simple model for deep bed filtration, where particles suspended in a fluid are trapped while passing through a porous filter. A steady state of the model is reached when filter can not trap additional particles. We find the model has two qualitatively different steady states depending on the fraction of traps, and the steady states can be described by directed percolation. We study in detail the evolution of the distribution of trapped particles, as the number of trapped particles increases. To understand the evolution, we formulate a mean field equation for the model, whose numerical solution is consistent with the behavior of the model. We find the trapped particle distribution is insensitive to details of the formulation of the model.

Abstract:
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.

Abstract:
Tracer diffusion and hydrodynamic dispersion in two-dimensional fractures with self-affine roughness is studied by analytic and numerical methods. Numerical simulations were performed via the lattice-Boltzmann approach, using a new boundary condition for tracer particles that improves the accuracy of the method. The reduction in the diffusive transport, due to the fractal geometry of the fracture surfaces, is analyzed for different fracture apertures. In the limit of small aperture fluctuations we derive the correction to the diffusive coefficient in terms of the tortuosity, which accounts for the irregular geometry of the fractures. Dispersion is studied when the two fracture surfaces are simple displaced normally to the mean fracture plane, and when there is a lateral shift as well. Numerical results are analyzed using the $\Lambda$-parameter, related to convective transport within the fracture, and simple arguments based on lubrication approximation. At very low P\'eclet number, in the case where fracture surfaces are laterally shifted, we show using several different methods that convective transport reduces dispersion.

Abstract:
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.

Abstract:
We use Stokesian Dynamics simulations to study the microscopic motion of particles suspended in fluids passing through porous media. We construct model porous media with fixed spherical particles, and allow mobile ones to move through this fixed bed under the action of an ambient velocity field. We first consider the pore scale motion of individual suspended particles at pore junctions. The relative particle flux into different possible directions exiting from a single pore, for two and three dimensional model porous media is found to approximately equal the corresponding fractional channel width or area. Next we consider the waiting time distribution for particles which are delayed in a junction, due to a stagnation point caused by a flow bifurcation. The waiting times are found to be controlled by two-particle interactions, and the distributions take the same form in model porous media as in two-particle systems. A simple theoretical estimate of the waiting time is consistent with the simulations. We also find that perturbing such a slow-moving particle by another nearby one leads to rather complicated behavior. We study the stability of geometrically trapped particles. For simple model traps, we find that particles passing nearby can ``relaunch'' the trapped particle through its hydrodynamic interaction, although the conditions for relaunching depend sensitively on the details of the trap and its surroundings.

Abstract:
The impact of nanometer sized drops on solid surfaces is studied using molecular dynamics simulations. Equilibrated floating drops consisting of short chains of Lennard-Jones liquids with adjustable volatility are directed normally onto an atomistic solid surface where they are observed to bounce, stick, splash or disintegrate, depending on the initial velocity and the nature of the materials involved. Drops impacting at low velocity bounce from non-wetting surfaces but stick and subsequently spread slowly on wetting surfaces. Higher velocity impacts produce an prompt splash followed by disintegration of the drop, while at still higher velocity drops disintegrate immediately. The disintegration can be understood as either a loss of coherence of the liquid or as the result of a local temperature exceeding the liquid-vapor coexistence value. In contrast to macroscopic drops, the presence of vapor outside the drop does not effect the behavior in any significant way. Nonetheless, the transition between the splashing and bouncing/sticking regimes occur at Reynolds and Weber numbers similar to those found for larger drops.

Abstract:
The conventional boundary conditions at the interface between two flowing liquids include continuity of the tangential velocity. We have tested this assumption with molecular dynamics simulations of Couette and Poiseuille flows of two-layered liquid systems, with various molecular structures and interactions. When the total liquid density near the interface drops significantly compared to the bulk values, the tangential velocity varies very rapidly there, and would appear discontinuous at continuum resolution. The value of this apparent slip is given by a Navier boundary condition.