Discrete aqueous solvent effects and possible attractive forces

We study discrete solvent effects on the interaction of two parallel charged surfaces in ionic aqueous solution. These effects are taken into account by adding a bilinear non-local term to the free energy of Poisson-Boltzmann theory. We study numerically the density profile of ions between the two plates, and the resulting inter-plate pressure. At large plate separations the two plates are decoupled and the ion distribution can be characterized by an effective Poisson-Boltzmann charge that is smaller than the nominal charge. The pressure is thus reduced relative to Poisson-Boltzmann predictions. At plate separations below ~2 nm the pressure is modified considerably, due to the solvent mediated short-range attraction between ions in the the system. For high surface charges this contribution can overcome the mean-field repulsion giving rise to a net attraction between the plates.Comment: 12 figures in 16 files. 19 pages. Submitted to J. Chem. Phys., July 200

Kosterlitz-Thouless and Manning Condensation

A comparison between the Kosterlitz-Thouless theory of metal insulator transition in a two dimensional plasma and a counterion condensation in a polyelectrolyte solution is made. It is demonstrated that, unlike some of the recent suggestions, the counterion condensation and the Kosterlitz-Thouless transition are distinct.Comment: 3 pages, uses multicol.sty, accepted to Physica

Improved real-space genetic algorithm for crystal structure and polymorph prediction

Existing genetic algorithms for crystal structure and polymorph prediction can suffer from stagnation during evolution, with a consequent loss of efficiency and accuracy. An improved genetic algorithm is introduced herein which penalizes similar structures and so enhances structural diversity in the population at each generation. This is shown to improve the quality of results found for the theoretical prediction of simple model crystal structures. In particular, this method is demonstrated to find three new zero-temperature phases of the Dzugutov potential that have not been previously reported

Interfacial Tension of Electrolyte Solutions

A theory is presented to account for the increase in surface tension of water in the presence of electrolyte. Unlike the original ``grand-canonical'' calculation of Onsager and Samaras, which relied on the Gibbs adsorption isotherm and lead to a result which could only be expressed as an infinite series, our approach is ``canonical'' and produces an analytic formula for the excess surface tension. For small concentrations of electrolyte, our result reduces to the Onsager-Samaras limiting law.Comment: contains two figures. Journal of Chemical Physics, in pres

Electrostatic interactions between discrete helices of charge

We analytically examine the pair interaction for parallel, discrete helices of charge. Symmetry arguments allow for the energy to be decomposed into a sum of terms, each of which has an intuitive geometric interpretation. Truncated Fourier expansions for these terms allow for accurate modeling of both the axial and azimuthal terms in the interaction energy and these expressions are shown to be insensitive to the form of the interaction. The energy is evaluated numerically through application of an Ewald-like summation technique for the particular case of unscreened Coulomb interactions between the charges of the two helices. The mode structures and electrostatic energies of flexible helices are also studied. Consequences of the resulting energy expressions are considered for both F-actin and A-DNA aggregates

Dynamics in the Sherrington-Kirkpatrick Ising spin glass at and above Tg

A detailed numerical study is made of relaxation at equilibrium in the Sherrington-Kirkpatrick Ising spin glass model, at and above the critical temperature Tg. The data show a long time stretched exponential relaxation q(t) ~ exp[-(t/tau(T))^beta(T)] with an exponent beta(T) tending to ~ 1/3 at Tg. The results are compared to those which were observed by Ogielski in the 3d ISG model, and are discussed in terms of a phase space percolation transition scenario.Comment: 6 pages, 7 figure

A Note on "Comparison of Electrolytic Resistance at Low and Radio Frequencies."

@IAC

Collective charge excitations along cell membranes

A significant part of the thin layers of counter-ions adjacent to the exterior and interior surfaces of a cell membrane form quasi-two-dimensional (2D) layers of mobile charge. Collective charge density oscillations, known as plasmon modes, in these 2D charged systems of counter-ions are predicted in the present paper. This is based on a calculation of the self-consistent response of this system to a fast electric field fluctuation. The possibility that the membrane channels might be using these excitations to carry out fast communication is suggested and experiments are proposed to reveal the existence of such excitations.Comment: 4 two-column pages, 3 figure

Non-linear charge reduction effect in strongly-coupled plasmas

The charge reduction effect, produced by the nonlinear Debye screening of high-Z charges occuring in strongly-coupled plasmas, is investigated. An analytic asymptotic expression is obtained for the charge reduction factor which determines the Debye-Hueckel potential generated by a charged test particle. Its relevant parametric dependencies are analyzed and shown to predict a strong charge reduction effect in strongly-coupled plasmas.Comment: 4 figure

Patterning of dielectric nanoparticles using dielectrophoretic forces generated by ferroelectric polydomain films

A theoretical study of a dielectrophoretic force, i.e. the force acting on an electrically neutral particle in the inhomogeneous electric field, which is produced by a ferroelectric domain pattern, is presented. It has been shown by several researchers that artificially prepared domain patterns with given geometry in ferroelectric single crystals represent an easy and flexible method for patterning dielectric nanoobjects using dielectrophoretic forces. The source of the dielectrophoretic force is a strong and highly inhomogeneous (stray) electric field, which exists in the vicinity of the ferroelectric domain walls at the surface of the ferroelectric film. We analyzed dielectrophoretic forces in the model of a ferroelectric film of a given thickness with a lamellar 180${}^\circ$ domain pattern. The analytical formula for the spatial distribution of the stray field in the ionic liquid above the top surface of the film is calculated including the effect of free charge screening. The spatial distribution of the dielectrophoretic force produced by the domain pattern is presented. The numerical simulations indicate that the intersection of the ferroelectric domain wall and the surface of the ferroelectric film represents a trap for dielectric nanoparticles in the case of so called positive dielectrophoresis. The effects of electrical neutrality of dielectric nanoparticles, free charge screening due to the ionic nature of the liquid, domain pattern geometry, and the Brownian motion on the mechanism of nanoparticle deposition and the stability of the deposited pattern are discussed.Comment: Accepted in the Journal of Applied Physics, 10 pages, 5 figure