Non-monotonic density dependence of the diffusion of DNA fragments in low-salt suspensions

The high linear charge density of 20-base-pair oligomers of DNA is shown to lead to a striking non-monotonic dependence of the long-time self-diffusion on the concentration of the DNA in low-salt conditions. This generic non-monotonic behavior results from both the strong coupling between the electrostatic and solvent-mediated hydrodynamic interactions, and from the renormalization of these electrostatic interactions at large separations, and specifically from the dominance of the far-field hydrodynamic interactions caused by the strong repulsion between the DNA fragments.Comment: 4 pages, 2 figures. Physical Review E, accepted on November 24, 200

Attraction between like-charged colloidal particles induced by a surface a density - functional analysis

We show that the first non-linear correction to the linearised Poisson-Boltzman n (or DLVO) theory of effective pair interactions between charge-stabilised, co lloidal particles near a charged wall leads to an attractive component of entro pic origin. The position and depth of the potential compare favourably with rec ent experimental measurementsComment: 12 pages including 2 figures. submitted to physical review letter

A closed form for the electrostatic interaction between two rod-like charged objects

We have calculated the electrostatic interaction between two rod-like charged objects with arbitrary orientations in three dimensions. we obtained a closed form formula expressing the interaction energy in terms of the separation distance between the centers of the two rod-like objects, $r$, their lengths (denoted by $2l_1$ and $2l_2$), and their relative orientations (indicated by $\theta$ and $\phi$). When the objects have the same length ($2l_1=2l_2=l$), for particular values of separations, i.e for $r\leq0.8 l$, two types of minimum are appeared in the interaction energy with respect to $\theta$. By employing the closed form formula and introducing a scaled temperature $t$, we have also studied the thermodynamic properties of a one dimensional system of rod-like charged objects. For different separation distances, the dependence of the specific heat of the system to the scaled temperature has been studied. It is found that for $r<0.8 l$, the specific heat has a maximum.Comment: 10 pages, 9 figures, 1 table, Accepted by J. Phys.: Condens. Matte

Effective interactions in the colloidal suspensions from HNC theory

The HNC Ornstein-Zernike integral equations are used to determine the properties of simple models of colloidal solutions where the colloids and ions are immersed in a solvent considered as a dielectric continuum and have a size ratio equal to 80 and a charge ratio varying between 1 and 4000. At an infinite dilution of colloids, the effective interactions between colloids and ions are determined for ionic concentrations ranging from 0.001 to 0.1 mol/l and compared to those derived from the Poisson-Boltzmann theory. At finite concentrations, we discuss on the basis of the HNC results the possibility of an unambiguous definition of the effective interactions between the colloidal molecules.Comment: 26 pages, 15 figure

Screening of charged spheroidal colloidal particles

We study the effective screened electrostatic potential created by a spheroidal colloidal particle immersed in an electrolyte, within the mean field approximation, using Poisson--Botzmann equation in its linear and nonlinear forms, and also beyond the mean field by means of Monte Carlo computer simulation. The anisotropic shape of the particle has a strong effect on the screened potential, even at large distances (compared to the Debye length) from it. To quantify this anisotropy effect, we focus our study on the dependence of the potential on the position of the observation point with respect with the orientation of the spheroidal particle. For several different boundary conditions (constant potential, or constant surface charge) we find that, at large distance, the potential is higher in the direction of the large axis of the spheroidal particle

Zener double exchange from local valence fluctuations in magnetite

Magnetite (Fe$_{3}$O$_{4}$) is a mixed valent system where electronic conductivity occurs on the B-site (octahedral) iron sublattice of the spinel structure. Below $T_{V}=122$ K, a metal-insulator transition occurs which is argued to arise from the charge ordering of 2+ and 3+ iron valences on the B-sites (Verwey transition). Inelastic neutron scattering measurements show that optical spin waves propagating on the B-site sublattice ($\sim$80 meV) are shifted upwards in energy above $T_{V}$ due to the occurrence of B-B ferromagnetic double exchange in the mixed valent metallic phase. The double exchange interaction affects only spin waves of $\Delta_{5}$ symmetry, not all modes, indicating that valence fluctuations are slow and the double exchange is constrained by electron correlations above $T_{V}$.Comment: 4 pages, 5 figure

Electromagnetic fluctuation-induced interactions in randomly charged slabs

Randomly charged net-neutral dielectric slabs are shown to interact across a featureless dielectric continuum with long-range electrostatic forces that scale with the statistical variance of their quenched random charge distribution and inversely with the distance between their bounding surfaces. By accounting for the whole spectrum of electromagnetic field fluctuations, we show that this long-range disorder-generated interaction extends well into the retarded regime where higher-order Matsubara frequencies contribute significantly. This occurs even for highly clean samples with only a trace amount of charge disorder and shows that disorder effects can be important down to the nano scale. As a result, the previously predicted non-monotonic behavior for the total force between dissimilar slabs as a function of their separation distance is substantially modified by higher-order contributions, and in almost all cases of interest, we find that the equilibrium inter-surface separation is shifted to substantially larger values compared to predictions based solely on the zero-frequency component. This suggests that the ensuing non-monotonic interaction is more easily amenable to experimental detection. The presence of charge disorder in the intervening dielectric medium between the two slabs is shown to lead to an additional force that can be repulsive or attractive depending on the system parameters and can, for instance, wash out the non-monotonic behavior of the total force when the intervening slab contains a sufficiently large amount of disorder charges.Comment: 9 pages, 5 figure

Charge and orbital order in Fe_3O_4

Charge and orbital ordering in the low-temperature monoclinic structure of magnetite (Fe_3O_4) is investigated using LSDA+U. While the difference between t_{2g} minority occupancies of Fe^{2+}_B and Fe^{3+}_B cations is large and gives direct evidence for charge ordering, the screening is so effective that the total 3d charge disproportion is rather small. The charge order has a pronounced [001] modulation, which is incompatible with the Anderson criterion. The orbital order agrees with the Kugel-Khomskii theory.Comment: 4 pages, 2 figure

Charge ordering in quarter-filled ladder systems coupled to the lattice

We investigate charge ordering in the presence of electron-phonon coupling for quarter-filled ladder systems by using Exact Diagonalization. As an example we consider NaV2O5 using model parameters obtained from first-principles band-structure calculations. The relevant Holstein coupling to the lattice considerably reduces the critical value of the nearest-neighbor Coulomb repulsion at which formation of the zig-zag charge-ordered state occurs, which is then accompanied by a static lattice distortion. Energy and length of a kink-like excitation on the background of the distorted lattice are calculated. Spin and charge spectra on ladders with and without static distortion are obtained, and the charge gap and the effective spin-spin exchange parameter J are extracted. J agrees well with experimental results. Analysis of the dynamical Holstein model, restricted to a small number of phonons, shows that low frequency lattice vibrations increase the charge order, accompanied by dynamically produced zig-zag lattice distortions.Comment: 11 pages, 17 figures, revised version as to appear in Phys. Rev.

Screening properties of Gaussian electrolyte models, with application to dissipative particle dynamics

We investigate the screening properties of Gaussian charge models of electrolyte solutions by analysing the asymptotic behaviour of the pair distribution functions. We use a combination of Monte-Carlo simulations with the hyper-netted chain integral equation closure, and the random phase approximation, to establish the conditions under which a screening length is well defined and the extent to which it matches the expected Debye length. For practical applications, for example in dissipative particle dynamics, we are able to summarise our results in succinct rules-of-thumb which can be used for mesoscale modeling of electrolyte solutions. We thereby establish a solid foundation for future work, such as the systematic incorporation of specific ion effects.Comment: 9 pages, 9 figures, 1 table, RevTeX4-