No Arabic abstract
We study by simulation and theory how the addition of insulating spherical particles affects the conductivity of fluids of conducting rods, modeled by spherocylinders. The electrical connections are implemented as tunneling processes, leading to a more detailed and realistic description than a discontinuous percolation approach. We find that the spheres enhance the tunneling conductivity for a given concentration of rods and that the enhancement increases with rod concentration into the regime where the conducting network is well established. By reformulating the network of rods using a critical path analysis, we quantify the effect of depletion-induced attraction between the rods due to the spheres. Furthermore, we show that our conductivity data are quantitatively reproduced by an effective medium approximation, which explicitly relates the system tunneling conductance to the structure of the rod-sphere fluid.
We present a theoretical analysis of the environment effects on charge transport in double-stranded synthetic poly(G)-poly(C) DNA molecules attached to two ideal leads. Coupling of the DNA to the environment results in two effects: (i) localization of carrier functions due to the static disorder and (ii) phonon-induced scattering of the carrier between these localized states, resulting in hopping conductivity. A nonlinear Pauli master equation for populations of localized states is used to describe the hopping transport and calculate the electric current as a function of the applied bias. We demonstrate that, although the electronic gap in the density of states shrinks as the disorder increases, the voltage gap in the $I-V$ characteristics becomes wider. Simple physical explanation of this effect is provided.
We present an analysis of the impact of structural disorder on the static scattering function of f-armed star branched polymers in d dimensions. To this end, we consider the model of a star polymer immersed in a good solvent in the presence of structural defects, correlated at large distances r according to a power law sim r^{-a}. In particular, we are interested in the ratio g(f) of the radii of gyration of star and linear polymers of the same molecular weight, which is a universal experimentally measurable quantity. We apply a direct polymer renormalization approach and evaluate the results within the double varepsilon=4-d, delta=4-a-expansion. We find an increase of g(f) with an increasing delta. Therefore, an increase of disorder correlations leads to an increase of the size measure of a star relative to linear polymers of the same molecular weight.
We present an experimental study of short-time diffusion properties in fluid-like suspensions of monodisperse charge-stabilized silica spheres suspended in DMF. The static structure factor S(q), the short-time diffusion function, D(q), and the hydrodynamic function, H(q), in these systems have been probed by combining X-ray photon correlation spectroscopy experiments with static small-angle X-ray scattering. Our experiments cover the full liquid-state part of the phase diagram, including deionized systems right at the liquid-solid phase boundary. We show that the dynamic data can be consistently described by the renormalized density fluctuation expansion theory of Beenakker and Mazur over a wide range of concentrations and ionic strengths. In accord with this theory and Stokesian dynamics computer simulations, the measured short-time properties cross over monotonically, with increasing salt content, from the bounding values of salt-free suspensions to those of neutral hard spheres. Moreover, we discuss an upper bound for the hydrodynamic function peak height of fluid systems based on the Hansen-Verlet freezing criterion.
We study the effect of solvent granularity on the effective force between two charged colloidal particles by computer simulations of the primitive model of strongly asymmetric electrolytes with an explicitly added hard sphere solvent. Apart from molecular oscillating forces for nearly touching colloids which arise from solvent and counterion layering, the counterions are attracted towards the colloidal surfaces by solvent depletion providing a simple statistical description of hydration. This, in turn, has an important influence on the effective forces for larger distances which are considerably reduced as compared to the prediction based on the primitive model. When these forces are repulsive, the long-distance behaviour can be described by an effective Yukawa pair potential with a solvent-renormalized charge. As a function of colloidal volume fraction and added salt concentration, this solvent-renormalized charge behaves qualitatively similar to that obtained via the Poisson-Boltzmann cell model but there are quantitative differences. For divalent counterions and nano-sized colloids, on the other hand, the hydration may lead to overscreened colloids with mutual attraction while the primitive model yields repulsive forces. All these new effects can be accounted for through a solvent-averaged primitive model (SPM) which is obtained from the full model by integrating out the solvent degrees of freedom. The SPM was used to access larger colloidal particles without simulating the solvent explicitly.
We develop a theory of magnetoresistance based on variable-range hopping. An exponentially large, low-field and necessarily positive magnetoresistance effect is predicted in the presence of Hubbard interaction and spin-dynamics under certain conditions. The theory was developed with the recently discovered organic magnetoresistance in mind. To account for the experimental observation that the organic magnetoresistance effect can also be negative, we tentatively amend the theory with a mechanism of bipolaron formation.