Interplay between structure and density anomaly for an isotropic core-softened ramp-like potential

Using molecular dynamics simulations and integral equations we investigate the structure, the thermodynamics and the dynamics of a system of particles interacting through a continuous core- softened ramp-like interparticle potential. We found density, dynamic and structural anomalies similar to that found in water. Analysis of the radial distribution function for several temperatures at fixed densities show a pattern that may be related to the origin of density anomaly.Comment: 7 pages, 3 figure

Adsorption and Depletion of Polyelectrolytes from Charged Surfaces

Mean-field theory and scaling arguments are presented to model polyelectrolyte adsorption from semi-dilute solutions onto charged surfaces. Using numerical solutions of the mean-field equations, we show that adsorption exists only for highly charged polyelectrolytes in low salt solutions. Simple scaling laws for the width of the adsorbed layer and the amount of adsorbed polyelectrolyte are obtained. In other situations the polyelectrolyte chains will deplete from the surface. For fixed surface potential conditions, the salt concentration at the adsorption--depletion crossover scales as the product of the charged fraction of the polyelectrolyte f and the surface potential, while for a fixed surface charge density, \sigma, it scales as \sigma^{2/3}f^{2/3}, in agreement with single-chain results.Comment: 12 pages, 8 figures, final version to be published in J. Chem. Phys. 200

Maximum or Minimum Differentiation? An Empirical Investigation into the Location of Firms

We empirically test some implications from location theory using the location of Los Angeles area gasoline stations in physical space and in the space of product attributes. We consider the effect of demand patterns, entry costs, and several proxies for competition -- the total number of stations, the proportion of independent stations, and the proportion of same-brand stations in a market -- on the tendency for a gasoline station to be physically located more or less closely to its competitors. Using an estimation procedure that controls for spatial correlation and controlling for market characteristics as well as non- spatial product attributes, we find that firms locate their stations in an attempt to spatially differentiate their product as general market competition increases. In other words, the incentive to differentiate in order to soften price competition dominates the incentive to cluster locations to attract consumers from rivals. We also find that spatial differentiation increases as stations become more differentiated in other station characteristics.product differentiation, spatial theory, location theory, retail gasoline

Pulling adsorbed polymers from surfaces with the AFM: stick versus slip, peeling versus gliding

We consider the response of an adsorbed polymer that is pulled by an AFM within a simple geometric framework. We separately consider the cases of i) fixed polymer-surface contact point, ii) sticky case where the polymer is peeled off from the substrate, and iii) slippery case where the polymer glides over the surface. The resultant behavior depends on the value of the surface friction coefficient and the adsorption strength. Our resultant force profiles in principle allow to extract both from non-equilibrium force-spectroscopic data.Comment: 6 pages, 3 figures; accepted for publication in Europhys. Lett., http://www.edpsciences.org/journal/index.cfm?edpsname=ep

Liquid crystal phase and waterlike anomalies in a core-softened shoulder-dumbbells system

Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in density-temperature plane at constante pressure and maximum and minimum points in the diffusivity and translational order parameter against density at constant temperature. Starting with very dense systems and decreasing density the mobility at low temperatures first increases, reach a maximum, then decreases, reach a minimum and finally increases. In the pressure-temperature phase diagram the line of maximum translational order parameter is located outside the line of diffusivity extrema that is enclosing the temperature of maximum density line. We compare our results with the monomeric system showing that the anisotropy due to the dumbbell leads to a much larger solid phase and to the appearance of a liquid crystal phase. the double ranged thermodynamic and dynamic anomalies.Comment: 14 pages, 5 figure

Ground state structure and interactions between dimeric 2D Wigner crystals

We study the ground state ordering and interactions between two two-dimensional Wigner crystals on neutralizing charged plates by means of computer simulation. We consider crystals formed by (i) point-like charges and (ii) charged dimers, which mimic the screening of charged surfaces by elongated multivalent ions such as aspherical globular proteins, charged dendrimers or short stiff polyelectrolytes. Both systems, with point-like and dimeric ions, display five distinct crystalline phases on increasing the interlayer distance. In addition to alteration of translational ordering within the bilayer, the phase transitions in the dimeric system are characterized by alteration of orientational ordering of the ions.Comment: Revised versio

Strong-Coupling Theory for Counter-Ion Distributions

The Poisson-Boltzmann approach gives asymptotically exact counter-ion density profiles around charged objects in the weak-coupling limit of low valency and high temperature. In this paper we derive, using field-theoretic methods, a theory which becomes exact in the opposite limit of strong coupling. Formally, it corresponds to a standard virial expansion. Long-range divergences, which render the virial expansion intractable for homogeneous bulk systems, are shown to be renormalizable for the case of inhomogeneous distribution functions by a systematic expansion in inverse powers of the coupling parameter. For a planar charged wall, our analytical results compare quantitatively with extensive Monte-Carlo simulations.Comment: 7 pages, 3 figures; to appear in Europhys. Let

Thermodynamic and Dynamic Anomalies for Dumbbell Molecules Interacting with a Repulsive Ramp-Like Potential

Using collision driven discrete molecular dynamics (DMD), we investigate the thermodynamics and dynamics of systems of 500 dumbbell molecules interacting by a purely repulsive ramp-like discretized potential, consisting of $n$ steps of equal size. We compare the behavior of the two systems, with $n = 18$ and $n = 144$ steps. Each system exhibits both thermodynamic and dynamic anomalies, a density maximum and the translational and rotational mobilities show anomalous behavior. Starting with very dense systems and decreasing the density, both mobilities first increase, reache a maximum, then decrease, reache a minimum, and finally increase; this behavior is similar to the behavior of SPC/E water. The regions in the pressure-temperature plane of translational and rotational mobility anomalies depend strongly on $n$. The product of the translational diffusion coefficient and the orientational correlation time increases with temperature, in contrast with the behavior of most liquids