Slip-stick transitions of soft permeable particles near a repulsive wall.

The behavior of permeable, elastic particles sliding along a repulsive wall is examined computationally. It is found that particles will stick or slip depending on the interplay of elastohydrodynamic and repulsive forces, and the flow in the porous particle. Particles slip when either the elastohydrodynamic lift or repulsive forces are large and create a supporting lubricating film of fluid.

Slip of soft permeable particles near a wall.

The slip and stick of soft permeable particles sliding near a smooth surface is determined by computing flow, pressure and shape of a particle pressed against a surface due to the osmotic pressure of the surrounding suspension and its translation at constant velocity parallel to the surface. We present a poro-elastohydrodynamic lubrication theory that accounts for the interplay of the viscous pressure force on the elastic deformation of the particle and the flow through the particle pores. At high particle velocities, the particles move along an elastohydrodynamic film of fluid causing the particles to slip on the surface.

Wettability Alteration and Adsorption of Mixed Nonionic and Anionic Surfactants on Carbonates.

Mixed-surfactant systems consisting of secondary alcohol ethoxylates and anionic sulfonates are evaluated as wettability alteration agents for enhanced oil recovery. The cloud points of the nonionic surfactants are raised by the addition of the sulfonates. The oil/water interfacial tension and contact angles of oil on initially oil-wet calcite are reported at different temperatures and surfactant compositions.

Molecular Dynamics Simulations of Aqueous Nonionic Surfactants on a Carbonate Surface.

The interactions and structure of secondary alcohol ethoxylates with 15 and 40 ethoxylate units in water near a calcite surface are studied. It is found that water binds preferentially to the calcite surface. Prediction of the free-energy landscape for surfactant molecules shows that single-surfactant molecules do not adsorb because they cannot get close enough to the surface because of the water layer for attractive ethoxylate-calcite or dispersion interactions to be significant.

Universal scaling of adsorption of nonionic surfactants on carbonates using cloud point temperatures.

Hypothesis: Nonionic surfactants alter the wettability of oil-wet carbonate surfaces to a water-wet state. The degree of surfactant adsorption is expected to determine the extent of the wettability alteration. Furthermore, the structure of the hydrophobic and hydrophilic units of the surfactant should affect the degree of adsorption and correlate with the wettability alteration.

Structure and phase behavior of polymer-linked colloidal gels.

Low-density "equilibrium" gels that consist of a percolated, kinetically arrested network of colloidal particles and are resilient to aging can be fabricated by restricting the number of effective bonds that form between the colloids. Valence-restricted patchy particles have long served as one archetypal example of such materials, but equilibrium gels can also be realized through a synthetically simpler and scalable strategy that introduces a secondary linker, such as a small ditopic molecule, to mediate the bonds between the colloids. Here, we consider the case where the ditopic linker molecules are low-molecular-weight polymers and demonstrate using a model colloid-polymer mixture how macroscopic properties such as the phase behavior as well as the microstructure of the gel can be designed through the polymer molecular weight and concentration.

Influence of morphology of colloidal nanoparticle gels on ion transport and rheology.

We develop a simple model to probe the ion transport and mechanical properties of low volume fraction colloidal nanoparticle gels. Specifically, we study the influence of the morphology of gels on ion diffusion and the corresponding roles of affinity to and enhanced ion transport along nanoparticle surfaces. We employ kinetic Monte Carlo simulations to simulate ion transport in the colloidal gels, and we perform nonequilibrium molecular dynamics to study their viscoelastic behavior.

Phase diagram for two-dimensional layer of soft particles.

The phase diagram of a monolayer of soft particles described by the Daoud-Cotton model for star polymers is presented. Ground state calculations and grand canonical Monte Carlo simulations are used to determine the phase behavior as a function of the number of arms on the star and the areal coverage of the soft particles. The phase diagram exhibits rich behavior including reentrant melting and freezing and solid-solid transitions with triangular, stripe, honeycomb and kagome phases.

On the universality of the flow properties of soft-particle glasses.

We identify the minimal interparticle interactions necessary for a particle dynamics simulation to predict the structure and flow behaviour of soft particle glasses (SPGs). Generally, two kinds of forces between the particles must be accounted for in simulations of SPGs: viscous or frictional drag forces and elastic contact forces. Far field drag forces are required to dissipate energy in the simulations and capture the effect of the rheology of the suspending fluid.

Wettability Alteration of Calcite by Nonionic Surfactants.

The process of selecting an effective surfactant for wettability alteration is dependent on a number of factors, including mineral type, temperature, salinity, and nature of adsorbed oil and ultimately how the molecular structure of the surfactant interacts with all of these. Here, we present an experimental study of the effectiveness of nonionic surfactants with different hydrophobic groups and different lengths of hydrophilic ethylene oxide oligomers. The surfactants selected alter the wettability of the rock primarily by acting on the water-rock and oil-rock interfaces.

Egalitarianism among Bubbles in Porous Media: An Ostwald Ripening Derived Anticoarsening Phenomenon.

We show that smaller gas bubbles grow at the expense of larger bubbles and all bubbles approach the same surface curvature after long times in porous media. This anticoarsening effect is contrary to typical Ostwald ripening and leads to uniformly sized bubbles in a homogeneous medium. Evolution dynamics of bubble populations were measured, and mathematical models were developed that fit the experimental data well.

Graphoepitaxy for translational and orientational ordering of monolayers of rectangular nanoparticles.

The combinations of particle aspect ratio and enthalpic-barrier templates that lead to translational and orientational ordering of monolayers of rectangular particles are determined using Monte Carlo simulations and density functional theory. For sufficiently high enthalpic barriers, we find that only specific combinations of particle sizes and template spacings lead to ordered arrays. The pattern multiplication factor provided by the template extends to approximately ten times the smallest dimension of the particle.

Graphoepitaxy for pattern multiplication of nanoparticle monolayers.

We compute the free energy minimizing structures of particle monolayers in the presence of enthalpic barriers of a finite height βV(ext) using classical density functional theory and Monte Carlo simulations. We show that a periodic square template with dimensions up to at least 10 times the particle diameter disrupts the formation of the entropically favored hexagonally close-packed 2D lattice in favor of a square lattice. The results illustrate how graphoepitaxy can successfully order nanoparticulate films into desired patterns many times smaller than those of the prepatterned template.

Precision Marangoni-driven patterning.

A Marangoni flow is shown to occur when a polymer film possessing a spatially-defined surface energy pattern is heated above its glass transition to the liquid state. This can be harnessed to rapidly manufacture polymer films possessing prescribed height profiles. To quantify and verify this phenomenon, a model is described here which accurately predicts the formation, growth, and eventual dissipation of topographical features.

Oxygen limitation within a bacterial aggregate.

ABSTRACT Cells within biofilms exhibit physiological heterogeneity, in part because of chemical gradients existing within these spatially structured communities. Previous work has examined how chemical gradients develop in large biofilms containing >10(8) cells. However, many bacterial communities in nature are composed of small, densely packed aggregates of cells (≤ 10(5) bacteria).

Microscopic origin of internal stresses in jammed soft particle suspensions.

The long time persistence of mechanical stresses is a generic property of glassy materials. Here we identify the microscopic mechanisms that control internal stresses in highly concentrated suspensions of soft particles brought to rest from steady flow. The persistence of the asymmetric angular distortions which characterize the pair distribution function during flow is at the origin of the internal stresses.

Modeling the mechanics of cancer: effect of changes in cellular and extra-cellular mechanical properties.

Malignant transformation, though primarily driven by genetic mutations in cells, is also accompanied by specific changes in cellular and extra-cellular mechanical properties such as stiffness and adhesivity. As the transformed cells grow into tumors, they interact with their surroundings via physical contacts and the application of forces. These forces can lead to changes in the mechanical regulation of cell fate based on the mechanical properties of the cells and their surrounding environment.

Templated evaporative lithography for high throughput fabrication of nanopatterned films.

A new method for the fabrication of well-defined nanostructured deposits by evaporation-driven directed self-assembly of nanoparticles is proposed and studied theoretically. The technique comprises a film of suspended nanoparticles drying with its surface in contact with a topographically patterned membrane which promotes spatially varying evaporation, resulting in a patterned deposit. Membrane thickness and topography (in conjunction with the initial film height and concentration) allow the feature and residual layer dimensions to be controlled independently.

Mathematical modeling of viral infection dynamics in spherical organs.

A general mathematical model of viral infections inside a spherical organ is presented. Transported quantities are used to represent external cells or viral particles that penetrate the organ surface to either promote or combat the infection. A diffusion mechanism is considered for the migration of transported quantities to the organ inner tissue.

How changes in cell mechanical properties induce cancerous behavior.

Tumor growth and metastasis are ultimately mechanical processes involving cell migration and uncontrolled division. Using a 3D discrete model of cells, we show that increased compliance as observed for cancer cells causes them to grow at a much faster rate compared to surrounding healthy cells. We also show how changes in intercellular binding influence tumor malignancy and metastatic potential.

A micromechanical model to predict the flow of soft particle glasses.

Soft particle glasses form a broad family of materials made of deformable particles, as diverse as microgels, emulsion droplets, star polymers, block copolymer micelles and proteins, which are jammed at volume fractions where they are in contact and interact via soft elastic repulsions. Despite a great variety of particle elasticity, soft glasses have many generic features in common. They behave like weak elastic solids at rest but flow very much like liquids above the yield stress.

Cancer cell migration: integrated roles of matrix mechanics and transforming potential.

Significant progress has been achieved toward elucidating the molecular mechanisms that underlie breast cancer progression; yet, much less is known about the associated cellular biophysical traits. To this end, we use time-lapsed confocal microscopy to investigate the interplay among cell motility, three-dimensional (3D) matrix stiffness, matrix architecture, and transforming potential in a mammary epithelial cell (MEC) cancer progression series. We use a well characterized breast cancer progression model where human-derived MCF10A MECs overexpress either ErbB2, 14-3-3ζ, or both ErbB2 and 14-3-3ζ, with empty vector as a control.

Cancer cell stiffness: integrated roles of three-dimensional matrix stiffness and transforming potential.

While significant advances have been made toward revealing the molecular mechanisms that influence breast cancer progression, much less is known about the associated cellular mechanical properties. To this end, we use particle-tracking microrheology to investigate the interplay among intracellular mechanics, three-dimensional matrix stiffness, and transforming potential in a mammary epithelial cell (MEC) cancer progression series. We use a well-characterized model system where human-derived MCF10A MECs overexpress either ErbB2, 14-3-3ζ, or both ErbB2 and 14-3-3ζ, with empty vector as a control.