652 research outputs found

    Tractable non-local correlation density functionals for flat surfaces and slabs

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    A systematic approach for the construction of a density functional for van der Waals interactions that also accounts for saturation effects is described, i.e. one that is applicable at short distances. A very efficient method to calculate the resulting expressions in the case of flat surfaces, a method leading to an order reduction in computational complexity, is presented. Results for the interaction of two parallel jellium slabs are shown to agree with those of a recent RPA calculation (J.F. Dobson and J. Wang, Phys. Rev. Lett. 82, 2123 1999). The method is easy to use; its input consists of the electron density of the system, and we show that it can be successfully approximated by the electron densities of the interacting fragments. Results for the surface correlation energy of jellium compare very well with those of other studies. The correlation-interaction energy between two parallel jellia is calculated for all separations d, and substantial saturation effects are predicted.Comment: 10 pages, 6 figure

    Use of Panel Code Modeling in a Framework for Aircraft Concept Optimization

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    Kasner and Mixmaster behavior in universes with equation of state w \ge 1

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    We consider cosmological models with a scalar field with equation of state w1w\ge 1 that contract towards a big crunch singularity, as in recent cyclic and ekpyrotic scenarios. We show that chaotic mixmaster oscillations due to anisotropy and curvature are suppressed, and the contraction is described by a homogeneous and isotropic Friedmann equation if w>1w>1. We generalize the results to theories where the scalar field couples to p-forms and show that there exists a finite value of ww, depending on the p-forms, such that chaotic oscillations are suppressed. We show that Z2Z_2 orbifold compactification also contributes to suppressing chaotic behavior. In particular, chaos is avoided in contracting heterotic M-theory models if w>1w>1 at the crunch.Comment: 25 pages, 2 figures, minor changes, references adde

    Effects of different needles and substrates on CuInS2 deposited by electrostatic spray deposition

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    Copper indium disulphide (CuInS2) thin films were deposited using the electrostatic spray deposition method. The effects of applied voltage and solution flow rate on the aerosol cone shape, film composition, surface morphology and current conversion were investigated. The effect of aluminium substrates and transparent fluorine doped tin oxide (SnO2:F) coated glass substrates on the properties of as-deposited CuInS2 films were analysed. An oxidation process occurs during the deposition onto the metallic substrates which forms an insulating layer between the photoactive film and substrate. The effects of two different spray needles on the properties of the as-deposited films were also studied. The results reveal that the use of a stainless steel needle results in contamination of the film due to the transfer of metal impurities through the spray whilst this is not seen for the glass needle. The films were characterised using a number of different analytical techniques such as X-ray diffraction, scanning electron microscopy, Rutherford back-scattering and secondary ion mass spectroscopy and opto-electronic measurements

    Asymptotic Expansions for Stationary Distributions of Perturbed Semi-Markov Processes

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    New algorithms for computing of asymptotic expansions for stationary distributions of nonlinearly perturbed semi-Markov processes are presented. The algorithms are based on special techniques of sequential phase space reduction, which can be applied to processes with asymptotically coupled and uncoupled finite phase spaces.Comment: 83 page

    A study on wear evaluation of railway wheels based on multibody dynamics and wear computation

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    The wear evolution of railway wheels is a very important issue in railway engineering. In the past, the reprofiling intervals of railway vehicle steel wheels have been scheduled according to designers' experience. Today, more reliable and accurate tools in predicting wheel wear evolution and wheelset lifetime can be used in order to achieve economical and safety benefits. In this work, a computational tool that is able to predict the evolution of the wheel profiles for a given railway system, as a function of the distance run, is presented. The strategy adopted consists of using a commercial multibody software to study the railway dynamic problem and a purpose-built code for managing its pre- and post-processing data in order to compute the wear. The tool is applied here to realistic operation scenarios in order to assess the effect of some service conditions on the wheel wear progression

    Meson Cloud of the Nucleon in Polarized Semi-Inclusive Deep-Inelastic Scattering

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    We investigate the possibility of identifying an explicit pionic component of the nucleon through measurements of polarized Δ++\Delta^{++} baryon fragments produced in deep-inelastic leptoproduction off polarized protons, which may help to identify the physical mechanism responsible for the breaking of the Gottfried sum rule. The pion-exchange model predicts highly correlated polarizations of the Δ++\Delta^{++} and target proton, in marked contrast with the competing diquark fragmentation process. Measurement of asymmetries in polarized Λ\Lambda production may also reveal the presence of a kaon cloud in the nucleon.Comment: 23 pages REVTeX, 7 uuencoded figures, accepted for publication in Zeit. Phys.

    Effect of stress-triaxiality on void growth in dynamic fracture of metals: a molecular dynamics study

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    The effect of stress-triaxiality on growth of a void in a three dimensional single-crystal face-centered-cubic (FCC) lattice has been studied. Molecular dynamics (MD) simulations using an embedded-atom (EAM) potential for copper have been performed at room temperature and using strain controlling with high strain rates ranging from 10^7/sec to 10^10/sec. Strain-rates of these magnitudes can be studied experimentally, e.g. using shock waves induced by laser ablation. Void growth has been simulated in three different conditions, namely uniaxial, biaxial, and triaxial expansion. The response of the system in the three cases have been compared in terms of the void growth rate, the detailed void shape evolution, and the stress-strain behavior including the development of plastic strain. Also macroscopic observables as plastic work and porosity have been computed from the atomistic level. The stress thresholds for void growth are found to be comparable with spall strength values determined by dynamic fracture experiments. The conventional macroscopic assumption that the mean plastic strain results from the growth of the void is validated. The evolution of the system in the uniaxial case is found to exhibit four different regimes: elastic expansion; plastic yielding, when the mean stress is nearly constant, but the stress-triaxiality increases rapidly together with exponential growth of the void; saturation of the stress-triaxiality; and finally the failure.Comment: 35 figures, which are small (and blurry) due to the space limitations; submitted (with original figures) to Physical Review B. Final versio
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