arXiv subjects

Joel Koplik

Publications and source records attributed to Joel Koplik.

At least 37 records · Page 2Linked to original sources

arXiv2006

Flow channelling in a single fracture induced by shear displacement

The effect on the transport properties of fractures of a relative shear displacement $\vec u$ of rough walls with complementary self-affine surfaces has been studied experimentally and numerically. The shear displacement $\vec u$ induces an anisotropy of the aperture field with a correlation length scaling as $u$ and significantly larger in the direction perpendicular to $\vec u$. This reflects the appearance of long range channels perpendicular to $\vec u$ resulting in a higher effective permeability for flow in the direction perpendicular to the shear. Miscible displacements fronts in such fractures are observed experimentally to display a self affine geometry of characteristic exponent directly related to that of the rough wall surfaces. A simple model based on the channelization of the aperture field allows to reproduces the front geometry when the mean flow is parallel to the channels created by the shear displacement.

physics.flu-dyn↗

arXiv2006

Nanoscale fluid flows in the vicinity of patterned surfaces

Molecular dynamics simulations of dense and rarefied fluids comprising small chain molecules in chemically patterned nano-channels predict a novel switching from Poiseuille to plug flow along the channel. We also demonstrate behavior akin to the lotus effect for a nanodrop on a chemically patterned substrate. Our results show that one can control and exploit the behavior of fluids at the nanoscale using chemical patterning.

cond-mat.soft↗

arXiv2006

Slip, immiscibility and boundary conditions at the liquid-liquid interface

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.

cond-mat.soft↗

arXiv2005

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.

cond-mat.soft↗

arXiv2005

Hysteresis, force oscillations and non-equilibrium effects in the adhesion of spherical nanoparticles to atomically smooth surfaces

Molecular dynamics simulations are used to examine hysteretic effects and distinctions between equilibrium and non-equilibrium aspects of particle adsorption on the walls of nano-sized fluidfilled channels. The force on the particle and the system's Helmholtz free energy are found to depend on the particle's history as well as on its radial position and the wetting properties of the fluid, even when the particle's motion occurs on time scales much longer than the spontaneous adsorption time. The hysteresis is associated with changes in the fluid density in the gap between the particle and the wall, and these structural rearrangements persist over surprisingly long times. The force and free energy exhibit large oscillations with distance when the lattice of the structured nanoparticle is held in register with that of the tube wall, but not if the particle is allowed to rotate freely. Adsorbed particles are trapped in free energy minima in equilibrium, but if the particle is forced along the channel the resulting stick-slip motion alters the fluid structure and allows the particle to desorb.

cond-mat.soft↗

arXiv2004

Wetting and particle adsorption in nanoflows

Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all treated as atomic systems, and special attention is given to the effects of varying the wetting properties of the fluid. Although the modification of the solid-fluid interaction leads to significant changes in the microstructure of the fluid, its transport properties are found to be the same as in bulk. Independently of the shape and relative size of the particle, we find two distinct regimes as a function of the degree of wetting, with a sharp transition between them. In the case of a highly-wetting suspending fluid, the particle moves through the cylinder with an average axial velocity in agreement with that obtained from the solution of the continuum Stokes equations. In contrast, in the case of less-wetting fluids, only the early-time motion of the particle is consistent with continuum dynamics. At later times, the particle is eventually adsorbed onto the wall and subsequently executes an intermittent stick-slip motion.We show that van der Walls forces are the dominant contribution to the particle adsorption phenomenon and that depletion forces are weak enough to allow, in the highly-wetting situation, an initially adsorbed particle to spontaneously desorb.

cond-mat.soft↗

arXiv2002

Molecular dynamics simulations of crystallization of hard spheres

We have carried out molecular dynamics simulations of the crystallization of hard spheres modelling colloidal systems that are studied in conventional and space-based experiments. We use microscopic probes to investigate the effects of gravitational forces, polydispersity and of bounding walls on the phase structure. The simulations employed an extensive exclusive particle grid method and the type and degree of crystalline order was studied in two independent ways: by the structure factor, as in experiments, and through local rotational invariants. We present quantitative comparisons of the nucleation rates of monodisperse and polydisperse hard sphere systems and benchmark them against experimental results. We show how the presence of bounding walls leads to wall-induced nucleation and rapid crystallization and discuss the role of gravity on the dynamics of crystallization.

cond-mat↗

arXiv2002

Extensional rupture of model non-Newtonian fluid filaments

We present molecular dynamics computer simulations of filaments of model non-Newtonian liquid stretched in a uniaxial deformation to the point of breaking. The liquid consists of Lennard-Jones monomers bound into chains of 100 monomers by nonlinear springs, and several different constant velocity and constant strain rate deformations are considered. Generally we observe nonuniform extensions originating in an interplay between the stretching forces and elastic and capillary restoring mechanisms, leading to highly uneven shapes and alternating stretched and unstretched regions of liquid. Except at the fastest pulling speeds, the filaments continue to thin indefinitely and break only when depleted of molecules, rather than common viscoelastic rupture mechanisms.

cond-mat.soft↗

arXiv2002

Adsorption phenomena in the transport of a colloidal particle through a nanochannel containing a partially wetting fluid

Using molecular dynamics simulations, we study the motion of a closely fitting nanometer-size solid sphere in a fluid-filled cylindrical nanochannel at low Reynolds numbers and for a wide range of fluid-solid interactions corresponding to different wetting situations. For fluids that are not completely wetting we observe an interesting and novel adsorption phenomenon, in which the solid sphere, that was initially moving along the center of the tube, meanders across the channel and suddenly adsorbes onto the wall. Thereafter, the adsorbed sphere either {\it sticks} to the wall and remains motionless on average, or separates slightly from the tube wall and then moves parallel to the tube axis, while rotating on average. On the other hand, at short times, i.e. when the solid particle moves with its center close to the middle of the tube, we find surprisingly good agreement between our results and the predictions of the continuum approach in spite of the large thermal fluctuations present in our simulations.

cond-mat.soft↗

arXiv2001

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.

cond-mat.stat-mech↗

arXiv2000

Boundary conditions at a fluid - solid interface

We study the boundary conditions at a fluid-solid interface using molecular dynamics simulations covering a broad range of fluid-solid interactions and fluid densities, and both simple and chain-molecule fluids. The slip length is shown to be independent of the type of flow, but rather is related to the fluid organization near the solid, as governed by the fluid-solid molecular interactions.

cond-mat.stat-mech↗

arXiv2000

Tracer dispersion in two-dimensional rough fractures

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 $Λ$-parameter, related to convective transport within the fracture, and simple arguments based on lubrication approximation. At very low Péclet number, in the case where fracture surfaces are laterally shifted, we show using several different methods that convective transport reduces dispersion.

cond-mat.stat-mech↗

arXiv2000

Molecular dynamics of flows in the Knudsen regime

Novel technological applications often involve fluid flows in the Knudsen regime in which the mean free path is comparable to the system size. We use molecular dynamics simulations to study the transition between the dilute gas and the dense fluid regimes as the fluid density is increased.

cond-mat.stat-mech↗

arXiv2000

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.

cond-mat.stat-mech↗

arXiv1999

Molecular Simulations of Dewetting

We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones interactions, and the solid is modeled as a clean crystal lattice whose atoms have thermal oscillations. Films below a critical thickness are found to exhibit a spontaneous spinodal-like instability leading to dry patches, as predicted theoretically and observed in some experiments. Liquid withdrawing from a dry patch collects in a moving rim whose fluid dynamics is only partially in agreement with earlier predictions.

cond-mat.soft↗

arXiv1999

Microscopic Motion of Particles Flowing through a Porous Medium

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.

cond-mat.dis-nn↗

arXiv1998

The no-slip condition for a mixture of two liquids

When a mixture of two viscous liquids flows past a solid wall there is an ambiguity in the use of the no-slip boundary condition. It is not obvious whether the mass-averaged velocity, the volume-averaged velocity, the individual species velocities, all or none of the above, or none of the above should exhibit no-slip. Extensive molecular dynamics simulations of the Poiseuille flow of mixtures of coexisting liquid species past an atomistic wall indicate that the velocity of each individual liquid species satisfies the no-slip condition and, therefore, so do mass and volume averages.

cond-mat.soft↗

arXiv1996

A Simple Model for Deep Bed Filtration

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.

cond-mat↗