22,319 research outputs found

    Thermal effects on lattice strain in hcp Fe under pressure

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    We compute the c/a lattice strain versus temperature for nonmagnetic hcp iron at high pressures using both first-principles linear response quasiharmonic calculations based on the full potential linear-muffin-tin-orbital (LMTO) method and the particle-in-cell (PIC) model for the vibrational partition function using a tight-binding total-energy method. The tight-binding model shows excellent agreement with the all-electron LMTO method. When hcp structure is stable, the calculated geometric mean frequency and Helmholtz free energy of hcp Fe from PIC and linear response lattice dynamics agree very well, as does the axial ratio as a function of temperature and pressure. On-site anharmonicity proves to be small up to the melting temperature, and PIC gives a good estimate of its sign and magnitude. At low pressures, hcp Fe becomes dynamically unstable at large c/a ratios, and the PIC model might fail where the structure approaches lattice instability. The PIC approximation describes well the vibrational behavior away from the instability, and thus is a reasonable approach to compute high temperature properties of materials. Our results show significant differences from earlier PIC studies, which gave much larger axial ratio increases with increasing temperature, or reported large differences between PIC and lattice dynamics results.Comment: 9 figure

    Percolation Critical Exponents in Scale-Free Networks

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    We study the behavior of scale-free networks, having connectivity distribution P(k) k^-a, close to the percolation threshold. We show that for networks with 3<a<4, known to undergo a transition at a finite threshold of dilution, the critical exponents are different than the expected mean-field values of regular percolation in infinite dimensions. Networks with 2<a<3 possess only a percolative phase. Nevertheless, we show that in this case percolation critical exponents are well defined, near the limit of extreme dilution (where all sites are removed), and that also then the exponents bear a strong a-dependence. The regular mean-field values are recovered only for a>4.Comment: Latex, 4 page

    SU(3) Clebsch-Gordan Coefficients for Baryon-Meson Coupling at Arbitrary N_c

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    We present explicit formulae for the SU(3) Clebsch-Gordan coefficients that are relevant for the couplings of large N_c baryons to mesons. In particular, we compute the Clebsch-Gordan series for the coupling of the octet (associated with mesons, and remains the correct representation at large N_c) to the large N_c analogs of the baryon octet and decuplet representations.Comment: 8 pages, no figures, ReVTe

    Comparing the Weighted Density Approximation with the LDA and GGA for Ground State Properties of Ferroelectric Perovskites

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    First-principles calculations within the weighted density approximation (WDA) were performed for ground state properties of ferroelectric perovskites PbTiO3_3, BaTiO3_3, SrTiO3_3, KNbO3_3 and KTaO3_3. We used the plane-wave pseudopotential method, a pair distribution function GG based on the uniform electron gas, and shell partitioning. Comparing with the local density approximation (LDA) and the general gradient approximation (GGA), we found that the WDA significantly improves the equilibrium volume of these materials in cubic symmetry over both the LDA and GGA; Ferroelectric instabilities calculated by the WDA agree with the LDA and GGA very well; At the experimental ferroelectric lattice, optimized atom positions by the WDA are in good agreement with measured data; However the WDA overestimates the strain of tetragonal PbTiO3_3 at experimental volume; The WDA overestimates the volume of fully relaxed structures, but the GGA results are even worse. Some calculations were also done with other models for GG. It is found that a GG with longer range behavior yields improved relaxed structures. Possible avenues for improving the WDA are discussed.Comment: 19 pages, 3 figures, submitted to PR

    Nonlinear Analysis of Irregular Variables

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    The Fourier spectral techniques that are common in Astronomy for analyzing periodic or multi-periodic light-curves lose their usefulness when they are applied to unsteady light-curves. We review some of the novel techniques that have been developed for analyzing irregular stellar light or radial velocity variations, and we describe what useful physical and astronomical information can be gained from their use.Comment: 31 pages, to appear as a chapter in `Nonlinear Stellar Pulsation' in the Astrophysics and Space Science Library (ASSL), Editors: M. Takeuti & D. Sasselo

    Investigation of Quantum Chaos in the Parametric Dependent System of Interacting oscillators

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    Formation of chaos in the parametric dependent system of interacting oscillators for the both classical and quantum cases has been investigated. Domain in which classical motion is chaotic is defined. It has been shown that for certain values of the parameters from this domain, form of the classical power spectrum is in a good agreement with the quantum band profile. Local density of states is calculated. The range in which application of perturbation theory is correct has been defined.Comment: 9 figures. to be published in Mod.Phys.Lett.

    Optimal Byzantine Resilient Convergence in Asynchronous Robot Networks

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    We propose the first deterministic algorithm that tolerates up to ff byzantine faults in 3f+13f+1-sized networks and performs in the asynchronous CORDA model. Our solution matches the previously established lower bound for the semi-synchronous ATOM model on the number of tolerated Byzantine robots. Our algorithm works under bounded scheduling assumptions for oblivious robots moving in a uni-dimensional space
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