761 research outputs found

    Structural and ultrametric properties of twenty(L-alanine)

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    We study local energy minima of twenty(L-alanine). The minima are generated using high-temperature Molecular Dynamics and Chain-Growth Monte Carlo simulations, with subsequent minimization. We find that the lower-energy configurations are α \alpha -helices for a wide range of dielectric constant values (ϵ=1,10,80), (\epsilon = 1,10,80), and that there is no noticeable difference between the distribution of energy minima in ϕψ \phi \psi space for different values of ϵ. \epsilon . Ultrametricity tests show that lower-energy (α (\alpha -helical) ϵ=1 \epsilon =1 configurations form a set which is ultrametric to a certain degree, providing evidence for the presence of fine structure among those minima. We put forward a heuristic argument for this fine structure. We also find evidence for ultrametricity of a different kind among ϵ=10 \epsilon =10 and ϵ=80 \epsilon =80 energy minima. We analyze the distribution of lengths of α \alpha -helical portions among the minimized configurations and find a persistence phenomenon for the ϵ=1 \epsilon =1 ones, in qualitative agreement with previous studies of critical lengths. Email contact: [email protected]: Saclay-T93/025 Email: [email protected]

    From the SU(2)SU(2) Quantum Link Model on the Honeycomb Lattice to the Quantum Dimer Model on the Kagom\'e Lattice: Phase Transition and Fractionalized Flux Strings

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    We consider the (2+1)(2+1)-d SU(2)SU(2) quantum link model on the honeycomb lattice and show that it is equivalent to a quantum dimer model on the Kagom\'e lattice. The model has crystalline confined phases with spontaneously broken translation invariance associated with pinwheel order, which is investigated with either a Metropolis or an efficient cluster algorithm. External half-integer non-Abelian charges (which transform non-trivially under the Z(2)\mathbb{Z}(2) center of the SU(2)SU(2) gauge group) are confined to each other by fractionalized strings with a delocalized Z(2)\mathbb{Z}(2) flux. The strands of the fractionalized flux strings are domain walls that separate distinct pinwheel phases. A second-order phase transition in the 3-d Ising universality class separates two confining phases; one with correlated pinwheel orientations, and the other with uncorrelated pinwheel orientations.Comment: 16 pages, 20 figures, 2 tables, two more relevant references and one short paragraph are adde

    From the SU(2)SU(2) Quantum Link Model on the Honeycomb Lattice to the Quantum Dimer Model on the Kagom\'e Lattice: Phase Transition and Fractionalized Flux Strings

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    We consider the (2+1)(2+1)-d SU(2)SU(2) quantum link model on the honeycomb lattice and show that it is equivalent to a quantum dimer model on the Kagom\'e lattice. The model has crystalline confined phases with spontaneously broken translation invariance associated with pinwheel order, which is investigated with either a Metropolis or an efficient cluster algorithm. External half-integer non-Abelian charges (which transform non-trivially under the Z(2)\mathbb{Z}(2) center of the SU(2)SU(2) gauge group) are confined to each other by fractionalized strings with a delocalized Z(2)\mathbb{Z}(2) flux. The strands of the fractionalized flux strings are domain walls that separate distinct pinwheel phases. A second-order phase transition in the 3-d Ising universality class separates two confining phases; one with correlated pinwheel orientations, and the other with uncorrelated pinwheel orientations.Comment: 16 pages, 20 figures, 2 tables, two more relevant references and one short paragraph are adde

    Manning condensation in two dimensions

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    We consider a macroion confined to a cylindrical cell and neutralized by oppositely charged counterions. Exact results are obtained for the two-dimensional version of this problem, in which ion-ion and ion-macroion interactions are logarithmic. In particular, the threshold for counterion condensation is found to be the same as predicted by mean-field theory. With further increase of the macroion charge, a series of single-ion condensation transitions takes place. Our analytical results are expected to be exact in the vicinity of these transitions and are in very good agreement with recent Monte-Carlo simulation data.Comment: 4 pages, 4 figure

    Status of the tiger beetle Cicindela hirticollis Say (Coleoptera: Cicindelidae) in New York City and on Long Island, New York, USA

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    Coastal species are under considerable threat from recreational activities and climate change. The tiger beetle Cicindela hirticollis Say (Coleoptera: Cicindelidae) was recorded historically from 30 locations along the shores of New York City and Long Island, New York. We conducted surveys for extant populations of this species at 40 sites from 1989 to 2010. Adults of C. hirticollis were found at 13 beaches. Only four sites had 40 or more adults of C. hirticollis active at the time the beach was surveyed. No beetles were detected on the large coastal beaches that were formerly occupied by this species. Many coastal beaches of New York receive heavy human foot and vehicle traffic and are therefore unlikely to provide suitable habitat for C. hirticollis without a shift in beach management that recognizes the potential of some beaches as wilderness systems capable of supporting the full array of beach-dependent species

    Dominant Reaction Pathways in High Dimensional Systems

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    This paper is devoted to the development of a theoretical and computational framework to efficiently sample the statistically significant thermally activated reaction pathways, in multi-dimensional systems obeying Langevin dynamics. We show how to obtain the set of most probable reaction pathways and compute the corrections due to quadratic thermal fluctuations around such trajectories. We discuss how to obtain predictions for the evolution of arbitrary observables and how to generate conformations which are representative of the transition state ensemble. We present an illustrative implementation of our method by studying the diffusion of a point particle in a 2-dimensional funneled external potential.Comment: 18 pages, 7 figures. Improvement in the text and in the figures. Version submitted for publicatio

    Asymptotic Freedom of Elastic Strings and Barriers

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    We study the problem of a quantized elastic string in the presence of an impenetrable wall. This is a two-dimensional field theory of an N-component real scalar field ϕ\phi which becomes interacting through the restriction that the magnitude of ϕ\phi is less than ϕmax\phi_{\rm max}, for a spherical wall of radius ϕmax\phi_{\rm max}. The N=1 case is a string vibrating in a plane between two straight walls. We review a simple nonperturbative argument that there is a gap in the spectrum, with asymptotically-free behavior in the coupling (which is the reciprocal of ϕmax\phi_{\rm max}) for N greater than or equal to one. This scaling behavior of the mass gap has been disputed in some of the recent literature. We find, however, that perturbation theory and the 1/N expansion each confirms that these theories are asymptotically free. The large N limit coincides with that of the O(N) nonlinear sigma model. A theta parameter exists for the N=2 model, which describes a string confined to the interior of a cylinder of radius ϕmax\phi_{\rm max}.Comment: Text slightly improved, bibilography corrected, more typos corrected, still Latex 7 page

    Bridge Hopping on Conducting Polymers in Solution

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    Configurational fluctuations of conducting polymers in solution can bring into proximity monomers which are distant from each other along the backbone. Electrons can hop between these monomers across the "bridges" so formed. We show how this can lead to (i) a collapse transition for metallic polymers, and (ii) to the observed dramatic efficiency of acceptor molecules for quenching fluorescence in semiconducting polymers.Comment: RevTeX 12 pages + 2 Postscript figure

    Analisis Keputusan Pembelian Konsumen melalui Media Online (E-Marketing)

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    Tujuan dari penelitian ini adalah untuk mengidentifikasi dan menentukan variabel yang dominan dalam mempengaruhi keputusan pembelian konsumen serta mengetahui variabel Manfaat atau Hambatan dalam bertransaksi yang secara dominan merupakan variabel yang dipertimbangkan dalam keputusan pembelian konsumen melalui media online (e-Marketing) dan juga mengetahui kecenderungan perilaku konsumen dimasa yang akan datang jika dilihat dari Zscore yang terbentuk. Metode Penelitian yang digunakan adalah metode deskriptif kuantitatif. Teknik pengumpulan data yang dilakukan dengan survey terhadap 100 responden melalui penyebaran kuesioner. Sampel dalam penelitian ini diambil dengan menggunakan teknik quota dan purposive sampling. Berdasarkan fungsi diskriminan dapat disimpulkan bahwa ternyata dari kedua variabel tersebut ternyata variabel manfaat dalam bertransaksi yang paling dominan dalam mempengaruhi keputusan pembelian konsumen melalui media online (e-Marketing). Berdasarkan hasil perhitungan Zscore, didapatkan kecenderungan perilaku konsumen dimasa yang akan datang dalam keputusan pembelian ( jarang atau sering) yaitu lebih banyak konsumen yang sering membeli dibandingkan dengan konsumen yang jarang membeli
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