Determination of the zeta potential for highly charged colloidal suspensions

We compute the electrostatic potential at the surface, or zeta potential $\zeta$, of a charged particle embedded in a colloidal suspension using a hybrid mesoscopic model. We show that for weakly perturbing electric fields, the value of $\zeta$ obtained at steady state during electrophoresis is statistically indistinguishable from $\zeta$ in thermodynamic equilibrium. We quantify the effect of counterions concentration on $\zeta$. We also evaluate the relevance of the lattice resolution for the calculation of $\zeta$ and discuss how to identify the effective electrostatic radius.Comment: 8 pages, 3 figures with 2 panel

Effect of Salt Concentration on the Electrophoretic Speed of a Polyelectrolyte through a Nanopore

In a previous paper [S. Ghosal, Phys. Rev. E 74, 041901 (2006)] a hydrodynamic model for determining the electrophoretic speed of a polyelectrolyte through an axially symmetric slowly varying nanopore was presented in the limit of a vanishingly small Debye length. Here the case of a finite Debye layer thickness is considered while restricting the pore geometry to that of a cylinder of length much larger than the diameter. Further, the possibility of a uniform surface charge on the walls of the nanopore is taken into account. It is thereby shown that the calculated transit times are consistent with recent measurements in silicon nanopores.Comment: 4 pages, 2 figure

Systematic characterization of thermodynamic and dynamical phase behavior in systems with short-ranged attraction

In this paper we demonstrate the feasibility and utility of an augmented version of the Gibbs ensemble Monte Carlo method for computing the phase behavior of systems with strong, extremely short-ranged attractions. For generic potential shapes, this approach allows for the investigation of narrower attractive widths than those previously reported. Direct comparison to previous self-consistent Ornstein-Zernike approximation calculations are made. A preliminary investigation of out-of-equilibrium behavior is also performed. Our results suggest that the recent observations of stable cluster phases in systems without long-ranged repulsions are intimately related to gas-crystal and metastable gas-liquid phase separation.Comment: 10 pages, 8 figure

Direct numerical simulations for non-Newtonian rheology of concentrated particle dispersions

The non-Newtonian behavior of a monodisperse concentrated dispersion of spherical particles was investigated using a direct numerical simulation method, that takes into account hydrodynamic interactions and thermal fluctuations accurately. Simulations were performed under steady shear flow with periodic boundary conditions in the three directions. The apparent shear viscosity of the dispersions was calculated at volume fractions ranging from 0.31 to 0.56. Shear-thinning behavior was clearly observed at high volume fractions. The low- and high-limiting viscosities were then estimated from the apparent viscosity by fitting these data into a semi-empirical formula. Furthermore, the short-time motions were examined for Brownian particles fluctuating in concentrated dispersions, for which the fluid inertia plays an important role. The mean square displacement was monitored in the vorticity direction at several different Peclet numbers and volume fractions so that the particle diffusion coefficient is determined from the long-time behavior of the mean square displacement. Finally, the relationship between the non-Newtonian viscosity of the dispersions and the structural relaxation of the dispersed Brownian particles is examined

A Simulation Method to Resolve Hydrodynamic Interactions in Colloidal Dispersions

A new computational method is presented to resolve hydrodynamic interactions acting on solid particles immersed in incompressible host fluids. In this method, boundaries between solid particles and host fluids are replaced with a continuous interface by assuming a smoothed profile. This enabled us to calculate hydrodynamic interactions both efficiently and accurately, without neglecting many-body interactions. The validity of the method was tested by calculating the drag force acting on a single cylindrical rod moving in an incompressible Newtonian fluid. This method was then applied in order to simulate sedimentation process of colloidal dispersions.Comment: 7pages, 7 figure

Electrophoresis of colloidal dispersions in the low-salt regime

We study the electrophoretic mobility of spherical charged colloids in a low-salt suspension as a function of the colloidal concentration. Using an effective particle charge and a reduced screening parameter, we map the data for systems with different particle charges and sizes, including numerical simulation data with full electrostatics and hydrodynamics and experimental data for latex dispersions, on a single master curve. We observe two different volume fraction-dependent regimes for the electrophoretic mobility that can be explained in terms of the static properties of the ionic double layer.Comment: Substantially revised versio

Functional Genomic Analysis of C. elegans Molting

Although the molting cycle is a hallmark of insects and nematodes, neither the endocrine control of molting via size, stage, and nutritional inputs nor the enzymatic mechanism for synthesis and release of the exoskeleton is well understood. Here, we identify endocrine and enzymatic regulators of molting in C. elegans through a genome-wide RNA-interference screen. Products of the 159 genes discovered include annotated transcription factors, secreted peptides, transmembrane proteins, and extracellular matrix enzymes essential for molting. Fusions between several genes and green fluorescent protein show a pulse of expression before each molt in epithelial cells that synthesize the exoskeleton, indicating that the corresponding proteins are made in the correct time and place to regulate molting. We show further that inactivation of particular genes abrogates expression of the green fluorescent protein reporter genes, revealing regulatory networks that might couple the expression of genes essential for molting to endocrine cues. Many molting genes are conserved in parasitic nematodes responsible for human disease, and thus represent attractive targets for pesticide and pharmaceutical development

Self-assembly of the simple cubic lattice with an isotropic potential

Conventional wisdom presumes that low-coordinated crystal ground states require directional interactions. Using our recently introduced optimization procedure to achieve self-assembly of targeted structures (Phys. Rev. Lett. 95, 228301 (2005), Phys. Rev. E 73, 011406 (2006)), we present an isotropic pair potential $V(r)$ for a three-dimensional many-particle system whose classical ground state is the low-coordinated simple cubic (SC) lattice. This result is part of an ongoing pursuit by the authors to develop analytical and computational tools to solve statistical-mechanical inverse problems for the purpose of achieving targeted self-assembly. The purpose of these methods is to design interparticle interactions that cause self-assembly of technologically important target structures for applications in photonics, catalysis, separation, sensors and electronics. We also show that standard approximate integral-equation theories of the liquid state that utilize pair correlation function information cannot be used in the reverse mode to predict the correct simple cubic potential. We report in passing optimized isotropic potentials that yield the body-centered cubic and simple hexagonal lattices, which provide other examples of non-close-packed structures that can be assembled using isotropic pair interactions.Comment: 16 pages, 12 figures. Accepted for publication in Physical Review

The van Hove distribution function for Brownian hard spheres: dynamical test particle theory and computer simulations for bulk dynamics

We describe a test particle approach based on dynamical density functional theory (DDFT) for studying the correlated time evolution of the particles that constitute a fluid. Our theory provides a means of calculating the van Hove distribution function by treating its self and distinct parts as the two components of a binary fluid mixture, with the `self' component having only one particle, the `distinct' component consisting of all the other particles, and using DDFT to calculate the time evolution of the density profiles for the two components. We apply this approach to a bulk fluid of Brownian hard spheres and compare to results for the van Hove function and the intermediate scattering function from Brownian dynamics computer simulations. We find good agreement at low and intermediate densities using the very simple Ramakrishnan-Yussouff [Phys. Rev. B 19, 2775 (1979)] approximation for the excess free energy functional. Since the DDFT is based on the equilibrium Helmholtz free energy functional, we can probe a free energy landscape that underlies the dynamics. Within the mean-field approximation we find that as the particle density increases, this landscape develops a minimum, while an exact treatment of a model confined situation shows that for an ergodic fluid this landscape should be monotonic. We discuss possible implications for slow, glassy and arrested dynamics at high densities.Comment: Submitted to Journal of Chemical Physic

Influence of shear stress applied during flow stoppage and rest period on the mechanical properties of thixotropic suspensions

We study the solid mechanical properties of several thixotropic suspensions as a function of the shear stress history applied during their flow stoppage and their aging in their solid state. We show that their elastic modulus and yield stress depend strongly on the shear stress applied during their solid-liquid transition (i.e., during flow stoppage) while applying the same stress only before or only after this transition may induce only second-order effects: there is negligible dependence of the mechanical properties on the preshear history and on the shear stress applied at rest. We also found that the suspensions age with a structuration rate that hardly depends on the stress history. We propose a physical sketch based on the freezing of a microstructure whose anisotropy depends on the stress applied during the liquid-solid transition to explain why the mechanical properties depend strongly on this stress. This sketch points out the role of the internal forces in the colloidal suspensions' behavior. We finally discuss briefly the macroscopic consequences of this phenomenon and show the importance of using a controlled-stress rheometer