87,437 research outputs found

    Geometry, thermodynamics, and finite-size corrections in the critical Potts model

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    We establish an intriguing connection between geometry and thermodynamics in the critical q-state Potts model on two-dimensional lattices, using the q-state bond-correlated percolation model (QBCPM) representation. We find that the number of clusters of the QBCPM has an energy-like singularity for q different from 1, which is reached and supported by exact results, numerical simulation, and scaling arguments. We also establish that the finite-size correction to the number of bonds, has no constant term and explains the divergence of related quantities as q --> 4, the multicritical point. Similar analyses are applicable to a variety of other systems.Comment: 12 pages, 6 figure

    Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

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    This paper compares 22 different similarity coefficients when they are used for searching databases of 2D fragment bit-strings. Experiments with the National Cancer Institute's AIDS and IDAlert databases show that the coefficients fall into several well-marked clusters, in which the members of a cluster will produce comparable rankings of a set of molecules. These clusters provide a basis for selecting combinations of coefficients for use in data fusion experiments. The results of these experiments provide a simple way of increasing the effectiveness of fragment-based similarity searching systems

    Grouping of coefficients for the calculation of inter-molecular similarity and dissimilarity using 2D fragment bit-strings

    Get PDF
    This paper compares 22 different similarity coefficients when they are used for searching databases of 2D fragment bit-strings. Experiments with the National Cancer Institute's AIDS and IDAlert databases show that the coefficients fall into several well-marked clusters, in which the members of a cluster will produce comparable rankings of a set of molecules. These clusters provide a basis for selecting combinations of coefficients for use in data fusion experiments. The results of these experiments provide a simple way of increasing the effectiveness of fragment-based similarity searching systems

    Universal scaling functions for bond percolation on planar random and square lattices with multiple percolating clusters

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    Percolation models with multiple percolating clusters have attracted much attention in recent years. Here we use Monte Carlo simulations to study bond percolation on L1×L2L_{1}\times L_{2} planar random lattices, duals of random lattices, and square lattices with free and periodic boundary conditions, in vertical and horizontal directions, respectively, and with various aspect ratio L1/L2L_{1}/L_{2}. We calculate the probability for the appearance of nn percolating clusters, Wn,W_{n}, the percolating probabilities, PP, the average fraction of lattice bonds (sites) in the percolating clusters, n_{n} (n_{n}), and the probability distribution function for the fraction cc of lattice bonds (sites), in percolating clusters of subgraphs with nn percolating clusters, fn(cb)f_{n}(c^{b}) (fn(cs)f_{n}(c^{s})). Using a small number of nonuniversal metric factors, we find that WnW_{n}, PP, n_{n} (n_{n}), and fn(cb)f_{n}(c^{b}) (fn(cs)f_{n}(c^{s})) for random lattices, duals of random lattices, and square lattices have the same universal finite-size scaling functions. We also find that nonuniversal metric factors are independent of boundary conditions and aspect ratios.Comment: 15 pages, 11 figure

    Gluon GPDs and Exclusive Photoproduction of a Quarkonium in Forward Region

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    Forward photoproduction of J/ψJ/\psi can be used to extract Generalized Parton Distributions(GPD's) of gluons. We analyze the process at twist-3 level and study relevant classifications of twist-3 gluon GPD's. At leading power or twist-2 level the produced J/ψJ/\psi is transversely polarized. We find that at twist-3 the produced J/ψJ/\psi is longitudinally polarized. Our study shows that in high energy limit the twist-3 amplitude is only suppressed by the inverse power of the heavy quark mass relatively to the twist-2 amplitude. This indicates that the power correction to the cross-section of unpolarized J/ψJ/\psi can have a sizeable effect. We have also derived the amplitude of the production of hch_c at twist-3, but the result contains end-point singularities. The production of other quarkonia has been briefly discussed.Comment: Discussions of results are adde

    Nonequilibrium Dynamics of Charged Particles in an Electromagnetic Field: Causal and Stable Dynamics from 1/c Expansion of QED

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    We derive from a microscopic Hamiltonian a set of stochastic equations of motion for a system of spinless charged particles in an electromagnetic (EM) field based on a consistent application of a dimensionful 1/c expansion of quantum electrodynamics (QED). All relativistic corrections up to order 1/c^3 are captured by the dynamics, which includes electrostatic interactions (Coulomb), magnetostatic backreaction (Biot-Savart), dissipative backreaction (Abraham-Lorentz) and quantum field fluctuations at zero and finite temperatures. With self-consistent backreaction of the EM field included we show that this approach yields causal and runaway-free equations of motion, provides new insights into charged particle backreaction, and naturally leads to equations consistent with the (classical) Darwin Hamiltonian and has quantum operator ordering consistent with the Breit Hamiltonian. To order 1/c^3 the approach leads to a nonstandard mass renormalization which is associated with magnetostatic self-interactions, and no cutoff is required to prevent runaways. Our new results also show that the pathologies of the standard Abraham-Lorentz equations can be seen as a consequence of applying an inconsistent (i.e. incomplete, mixed-order) expansion in 1/c, if, from the start, the analysis is viewed as generating a low-energy effective theory rather than an exact solution. Finally, we show that the 1/c expansion within a Hamiltonian framework yields well-behaved noise and dissipation, in addition to the multiple-particle interactions.Comment: 17 pages, 2 figure
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