2,600 research outputs found

    Electron localisation in static and time-dependent one-dimensional model systems

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    Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can vary considerably between different ground-state systems, and can also be strongly disrupted, as a function of time, when a system is driven by an applied electric field. We use our new measure to assess the well-known electron localization function (ELF), both in its approximate single-particle form (often applied within density-functional theory) and its full many-particle form. The full ELF always gives an excellent description of localization, but the approximate ELF fails in time-dependent situations, even when the exact Kohn-Sham orbitals are employed.Comment: 7 pages, 4 figure

    DBT degradation enhancement by decorating Rhodococcus erythropolis IGST8 with magnetic Fe3O4 nanoparticles

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    Biodesulfurization (BDS) of dibenzothiophene (DBT) was carried out by Rhodococcus erythropolis IGST8 decorated with magnetic Fe3O4 nanoparticles, synthesized in-house by a chemical method, with an average size of 45-50 nm, in order to facilitate the post-reaction separation of the bacteria from the reaction mixture. Scanning electron microscopy (SEM) showed that the magnetic nanoparticles substantially coated the surfaces of the bacteria. It was found that the decorated cells had a 56% higher DBT desulfurization activity in basic salt medium (BSM) compared to the nondecorated cells. We propose that this is due to permeabilization of the bacterial membrane, facilitating the entry and exit of reactant and product, respectively. Model experiments with black lipid membranes (BLM) demonstrated that the nanoparticles indeed enhance membrane permeability

    Exact time-dependent density-functional potentials for strongly correlated tunneling electrons

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    By propagating the many-body Schr\"odinger equation, we determine the exact time-dependent Kohn-Sham potential for a system of strongly correlated electrons which undergo field-induced tunneling. Numerous features are entirely absent from the approximations commonly used in time-dependent density-functional theory. The self-interaction correction is strong and time dependent, owing to electron localization, and prominent dynamic spatial potential steps arise from minima in the charge density, as modified by the Coulomb interaction experienced by the partially tunneled electron.Comment: 5 figure

    Cochlear reimplantation

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    Since its inception in 1988 the Cochlear Implant Programme in Manchester has successfully implanted 69 adults and 23 children. Of these 92 procedures, three patients have undergone revision surgery with the insertion of either a new implant or re-positioning of the existing device. We examine the circumstances that lead to the need for reimplantation in these patients, discuss the technical aspects of revision surgery together with the functional results of such procedures. Re-operatio

    Kinetics and Jamming Coverage in a Random Sequential Adsorption of Polymer Chains

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    Using a highly efficient Monte Carlo algorithm, we are able to study the growth of coverage in a random sequential adsorption (RSA) of self-avoiding walk (SAW) chains for up to 10^{12} time steps on a square lattice. For the first time, the true jamming coverage (theta_J) is found to decay with the chain length (N) with a power-law theta_J propto N^{-0.1}. The growth of the coverage to its jamming limit can be described by a power-law, theta(t) approx theta_J -c/t^y with an effective exponent y which depends on the chain length, i.e., y = 0.50 for N=4 to y = 0.07 for N=30 with y -> 0 in the asymptotic limit N -> infinity.Comment: RevTeX, 5 pages inclduing figure

    Model of correlated sequential adsorption of colloidal particles

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    We present results of a new model of sequential adsorption in which the adsorbing particles are correlated with the particles attached to the substrate. The strength of the correlations is measured by a tunable parameter σ\sigma. The model interpolates between free ballistic adsorption in the limit σ\sigma\to\infty and a strongly correlated phase, appearing for σ0\sigma\to0 and characterized by the emergence of highly ordered structures. The phenomenon is manifested through the analysis of several magnitudes, as the jamming limit and the particle-particle correlation function. The effect of correlations in one dimension manifests in the increased tendency to particle chaining in the substrate. In two dimensions the correlations induce a percolation transition, in which a spanning cluster of connected particles appears at a certain critical value σc\sigma_c. Our study could be applicable to more general situations in which the coupling between correlations and disorder is relevant, as for example, in the presence of strong interparticle interactions.Comment: 6 pages, 8 EPS figures. Phys. Rev. E (in press
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