3,268 research outputs found

    Effects of staggered fermions and mixed actions on the scalar correlator

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    We provide the analytic predictions for the flavor non-singlet scalar correlator, which will enable determination of the scalar meson mass from the lattice scalar correlator. We consider simulations with 2+1 staggered sea quarks and staggered or chiral valence quarks. At small u/d masses the correlator is dominated by the bubble contribution, which is the intermediate state with two pseudoscalar mesons. We determine the bubble contribution within Staggered and Mixed Chiral Perturbation Theory. Its effective mass is smaller than the mass M_pi+M_eta, which is the lightest intermediate state in proper 2+1 QCD. The unphysical effective mass is a consequence of the taste breaking that makes possible the intermediate state with mass 2*M_pi. We find that the scalar correlator can be negative in the simulations with mixed quark actions if the sea and valence quark masses are tuned by matching the pion masses M_{val,val}=M_{pi_5}.Comment: 16 pages, 7 figure

    Interaction between electronic structure and strain in Bi nanolines on Si(001)

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    Heteroepitaxial strain can be a controlling factor in the lateral dimensions of 1-D nanostructures. Bi nanolines on Si(001) have an atomic structure which involves a large sub-surface reconstruction, resulting in a strong elastic coupling to the surrounding silicon. We present variable-bias STM and first principles electronic structure calculations of the Bi nanolines, which investigates this interaction. We show that the strain associated with the nanolines affects the atomic and electronic structure of at least two neighbouring Si dimers, and identify the mechanism behind this. We also present partial charge densities (projected by energy) for the nanoline with clean and hydrogenated surroundings and contrast it to the clean Si(001) surface.Comment: 10 pages, 3 figures, submitted to Surface Scienc

    Stress relief as the driving force for self-assembled Bi nanolines

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    Stress resulting from mismatch between a substrate and an adsorbed material has often been thought to be the driving force for the self-assembly of nanoscale structures. Bi nanolines self-assemble on Si(001), and are remarkable for their straightness and length -- they are often more than 400 nm long, and a kink in a nanoline has never been observed. Through electronic structure calculations, we have found an energetically favourable structure for these nanolines that agrees with our scanning tunneling microscopy and photoemission experiments; the structure has an extremely unusual subsurface structure, comprising a double core of 7-membered rings of silicon. Our proposed structure explains all the observed features of the nanolines, and shows that surface stress resulting from the mismatch between the Bi and the Si substrate are responsible for their self-assembly. This has wider implications for the controlled growth of nanostructures on semiconductor surfaces.Comment: 4 pages, 4 figures, submitted to Phys. Rev. Let

    Accuracy control in ultra-large-scale electronic structure calculation

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    Numerical aspects are investigated in ultra-large-scale electronic structure calculation. Accuracy control methods in process (molecular-dynamics) calculation are focused. Flexible control methods are proposed so as to control variational freedoms, automatically at each time step, within the framework of generalized Wannier state theory. The method is demonstrated in silicon cleavage simulation with 10^2-10^5 atoms. The idea is of general importance among process calculations and is also used in Krylov subspace theory, another large-scale-calculation theory.Comment: 8 pages, 3 figures. To appear in J.Phys. Condens. Matter. A preprint PDF file in better graphics is available at http://fujimac.t.u-tokyo.ac.jp/lses/index_e.htm

    Analytical solution for capacitance calculation of a curved patch capacitor that conforms to the curvature of a homogeneous cylindrical dielectric rod

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    This Letter presents an analytical expression for the capacitance of a curved patch capacitor whose electrodes conform to the curvature of a long, homogeneous, cylindrical dielectric rod. The capacitor is composed of two infinitely long curved electrodes, symmetrically placed about a diameter of the cylinder cross-section. The resulting capacitance per unit length depends on both the dielectric properties of the material under test and the capacitor configuration. A practical capacitance measurement is also presented, with appropriately guarded finite electrodes. Very good agreement between measured and theoretically predicted capacitances were observed, to within 2.4 percent. The analytical result presented in this Letter can be applied for extremely rapid evaluation of rod permittivity from measured capacitance

    On the statistical machinery of alien species

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    Many species of plants are found in regions to which they are alien and their global distribution has been found to exhibit several remarkable patterns,characterised by exponential functions of the kind that could arise through versions of MacArthur's broken stick. We show here that these various patterns are all quantitatively reproduced by a simple algorithm, in terms of a single parameter- a single stick to be broken. This algorithm admits a biological interpretation in terms of niche structures fluctuating with time and productivity; with sites and species highly idiosyncratic. Technically, this is an application of statistical mechanics to ecology quite different from the familiar application to species abundance distributions.Comment: 14 pages, 3 figures. Follows and strengthens arXiv:1004.2271 . Version 2 has 16 pages and 3 figures. It differs from the original version in a revised and extended discussion of the biological aspects and a small change in a parameter to improve agreement with dat

    Kinetic parameters for nutrient enhanced crude oil biodegradation in intertidal marine sediments

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    Availability of inorganic nutrients, particularly nitrogen and phosphorous, is often a primary control on crude oil hydrocarbon degradation in marine systems. Many studies have empirically determined optimum levels of inorganic N and P for stimulation of hydrocarbon degradation. Nevertheless, there is a paucity of information on fundamental kinetic parameters for nutrient enhanced crude oil biodegradation that can be used to model the fate of crude oil in bioremediation programmes that use inorganic nutrient addition to stimulate oil biodegradation. Here we report fundamental kinetic parameters (Ks and qmax) for nitrate-and phosphate-stimulated crude oil biodegradation under nutrient limited conditions and with respect to crude oil, under conditions where N and P are not limiting. In the marine sediments studied, crude oil degradation was limited by both N and P availability. In sediments treated with 12.5 mg/g of oil but with no addition of N and P, hydrocarbon degradation rates, assessed on the basis of CO2 production, were 1.10 ± 0.03 μmol CO2/g wet sediment/day which were comparable to rates of CO2 production in sediments to which no oil was added (1.05 ± 0.27 μmol CO2/g wet sediment/day). When inorganic nitrogen was added alone maximum rates of CO2 production measured were 4.25 ± 0.91 μmol CO2/g wet sediment/day. However, when the same levels of inorganic nitrogen were added in the presence of 0.5% P w/w of oil (1.6 μmol P/g wet sediment) maximum rates of measured CO2 production increased more than four-fold to 18.40 ± 1.04 μmol CO2/g wet sediment/day. Ks and qmax estimates for inorganic N (in the form of sodium nitrate) when P was not limiting were 1.99 ± 0.86 μmol/g wet sediment and 16.16 ± 1.28 μmol CO2/g wet sediment/day respectively. The corresponding values for P were 63 ± 95 nmol/g wet sediment and 12.05 ± 1.31 μmol CO2/g wet sediment/day. The qmax values with respect to N and P were not significantly different (P < 0.05). When N and P were not limiting Ks and qmax for crude oil were 4.52 ± 1.51 mg oil/g wet sediment and 16.89 ± 1.25 μmol CO2/g wet sediment/day. At concentrations of inorganic N above 45 μmol/g wet sediment inhibition of CO2 production from hydrocarbon degradation was evident. Analysis of bacterial 16S rRNA genes indicated that Alcanivorax spp. were selected in these marine sediments with increasing inorganic nutrient concentration, whereas Cycloclasticus spp. were more prevalent at lower inorganic nutrient concentrations. These data suggest that simple empirical estimates of the proportion of nutrients added relative to crude oil concentrations may not be sufficient to guarantee successful crude oil bioremediation in oxic beach sediments. The data we present also help define the maximum rates and hence timescales required for bioremediation of beach sediments
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