3,733 research outputs found

    Population Annealing with Weighted Averages: A Monte Carlo Method for Rough Free Energy Landscapes

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    The population annealing algorithm introduced by Hukushima and Iba is described. Population annealing combines simulated annealing and Boltzmann weighted differential reproduction within a population of replicas to sample equilibrium states. Population annealing gives direct access to the free energy. It is shown that unbiased measurements of observables can be obtained by weighted averages over many runs with weight factors related to the free energy estimate from the run. Population annealing is well suited to parallelization and may be a useful alternative to parallel tempering for systems with rough free energy landscapes such as spin glasses. The method is demonstrated for spin glasses.Comment: 9 pages, 5 figures; version 2 has improved figure 5 and new titl

    General approach for studying first-order phase transitions at low temperatures

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    By combining different ideas, a general and efficient protocol to deal with discontinuous phase transitions at low temperatures is proposed. For small TT's, it is possible to derive a generic analytic expression for appropriate order parameters, whose coefficients are obtained from simple simulations. Once in such regimes simulations by standard algorithms are not reliable, an enhanced tempering method, the parallel tempering -- accurate for small and intermediate system sizes with rather low computational cost -- is used. Finally, from finite size analysis, one can obtain the thermodynamic limit. The procedure is illustrated for four distinct models, demonstrating its power, e.g., to locate coexistence lines and the phases density at the coexistence.Comment: 5 page

    Observations of comet Levy 1990c in the (OI) 6300-A line with an imaging Fabry-Perot

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    We have observed the comet Levy 1990c during 16-25 August 1990 using the MPAE focal reducer system based Fabry-Perot etalon coupled with the 1 meter telescope of the Observatory of Hoher List. The free spectral range and resolution limit of the interferometer was approximately 2.18 A and approximately 0.171 A respectively. Classical Fabry-Perot fringes were recorded on a CCD in the cometary (OI) 6300 A line. They are well resolved from telluric air glow and cometary NH2 emission. Our observations indicate that the (OI) is distributed asymmetrically with respect to the center of the comet. In this paper we report the spatial distribution of (OI) emission and its line width in the coma of comet Levy

    Make life simple: unleash the full power of the parallel tempering algorithm

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    We introduce a new update scheme to systematically improve the efficiency of parallel tempering simulations. We show that by adapting the number of sweeps between replica exchanges to the canonical autocorrelation time, the average round-trip time of a replica in temperature space can be significantly decreased. The temperatures are not dynamically adjusted as in previous attempts but chosen to yield a 50% exchange rate of adjacent replicas. We illustrate the new algorithm with results for the Ising model in two and the Edwards-Anderson Ising spin glass in three dimensionsComment: 4 pages, 5 figure

    Doppler velocities in the ion tail of comet Levy 1990c

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    We have obtained time alternating sequences of column density maps and Doppler velocity fields in the plasma tail of comet Levy 1990c. We describe the observing technique and data analysis, and we present first results

    Microcanonical versus Canonical Analysis of Protein Folding

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    The microcanonical analysis is shown to be a powerful tool to characterize the protein folding transition and to neatly distinguish between good and bad folders. An off-lattice model with parameter chosen to represent polymers of these two types is used to illustrate this approach. Both canonical and microcanonical ensembles are employed. The required calculations were performed using parallel tempering Monte Carlo simulations. The most revealing features of the folding transition are related to its first-order-like character, namely, the S-bend pattern in the caloric curve, which gives rise to negative microcanonical specific heats, and the bimodality of the energy distribution function at the transition temperatures. Models for a good folder are shown to be quite robust against perturbations in the interaction potential parameters.Comment: 4 pages, 4 figure

    Entropic effects in large-scale Monte Carlo simulations

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    The efficiency of Monte Carlo samplers is dictated not only by energetic effects, such as large barriers, but also by entropic effects that are due to the sheer volume that is sampled. The latter effects appear in the form of an entropic mismatch or divergence between the direct and reverse trial moves. We provide lower and upper bounds for the average acceptance probability in terms of the Renyi divergence of order 1/2. We show that the asymptotic finitude of the entropic divergence is the necessary and sufficient condition for non-vanishing acceptance probabilities in the limit of large dimensions. Furthermore, we demonstrate that the upper bound is reasonably tight by showing that the exponent is asymptotically exact for systems made up of a large number of independent and identically distributed subsystems. For the last statement, we provide an alternative proof that relies on the reformulation of the acceptance probability as a large deviation problem. The reformulation also leads to a class of low-variance estimators for strongly asymmetric distributions. We show that the entropy divergence causes a decay in the average displacements with the number of dimensions n that are simultaneously updated. For systems that have a well-defined thermodynamic limit, the decay is demonstrated to be n^{-1/2} for random-walk Monte Carlo and n^{-1/6} for Smart Monte Carlo (SMC). Numerical simulations of the LJ_38 cluster show that SMC is virtually as efficient as the Markov chain implementation of the Gibbs sampler, which is normally utilized for Lennard-Jones clusters. An application of the entropic inequalities to the parallel tempering method demonstrates that the number of replicas increases as the square root of the heat capacity of the system.Comment: minor corrections; the best compromise for the value of the epsilon parameter in Eq. A9 is now shown to be log(2); 13 pages, 4 figures, to appear in PR

    Effects of phase transitions in devices actuated by the electromagnetic vacuum force

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    We study the influence of the electromagnetic vacuum force on the behaviour of a model device based on materials, like germanium tellurides, that undergo fast and reversible metal-insulator transitions on passing from the crystalline to the amorphous phase. The calculations are performed at finite temperature and fully accounting for the behaviour of the material dielectric functions. The results show that the transition can be exploited to extend the distance and energy ranges under which the device can be operated without undergoing stiction phenomena. We discuss the approximation involved in adopting the Casimir expression in simulating nano- and micro- devices at finite temperature
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