Apparent horizons in simplicial Brill wave initial data

We construct initial data for a particular class of Brill wave metrics using Regge calculus, and compare the results to a corresponding continuum solution, finding excellent agreement. We then search for trapped surfaces in both sets of initial data, and provide an independent verification of the existence of an apparent horizon once a critical gravitational wave amplitude is passed. Our estimate of this critical value, using both the Regge and continuum solutions, supports other recent findings.Comment: 7 pages, 6 EPS figures, LaTeX 2e. Submitted to Class. Quant. Gra

Connected component identification and cluster update on GPU

Cluster identification tasks occur in a multitude of contexts in physics and engineering such as, for instance, cluster algorithms for simulating spin models, percolation simulations, segmentation problems in image processing, or network analysis. While it has been shown that graphics processing units (GPUs) can result in speedups of two to three orders of magnitude as compared to serial codes on CPUs for the case of local and thus naturally parallelized problems such as single-spin flip update simulations of spin models, the situation is considerably more complicated for the non-local problem of cluster or connected component identification. I discuss the suitability of different approaches of parallelization of cluster labeling and cluster update algorithms for calculations on GPU and compare to the performance of serial implementations.Comment: 15 pages, 14 figures, one table, submitted to PR

Rotating star initial data for a constrained scheme in numerical relativity

A new numerical code for computing stationary axisymmetric rapidly rotating stars in general relativity is presented. The formulation is based on a fully constrained-evolution scheme for 3+1 numerical relativity using the Dirac gauge and maximal slicing. We use both the polytropic and MIT bag model equations of state to demonstrate that the code can construct rapidly rotating neutron star and strange star models. We compare numerical models obtained by our code and a well-established code, which uses a different gauge condition, and show that the two codes agree to high accuracy.Comment: Minor changes and one figure added. Version accepted for publication in Class. Quant. Gra

The constraints as evolution equations for numerical relativity

The Einstein equations have proven surprisingly difficult to solve numerically. A standard diagnostic of the problems which plague the field is the failure of computational schemes to satisfy the constraints, which are known to be mathematically conserved by the evolution equations. We describe a new approach to rewriting the constraints as first-order evolution equations, thereby guaranteeing that they are satisfied to a chosen accuracy by any discretization scheme. This introduces a set of four subsidiary constraints which are far simpler than the standard constraint equations, and which should be more easily conserved in computational applications. We explore the manner in which the momentum constraints are already incorporated in several existing formulations of the Einstein equations, and demonstrate the ease with which our new constraint-conserving approach can be incorporated into these schemes.Comment: 10 pages, updated to match published versio

Reliable estimation of prediction uncertainty for physico-chemical property models

The predictions of parameteric property models and their uncertainties are sensitive to systematic errors such as inconsistent reference data, parametric model assumptions, or inadequate computational methods. Here, we discuss the calibration of property models in the light of bootstrapping, a sampling method akin to Bayesian inference that can be employed for identifying systematic errors and for reliable estimation of the prediction uncertainty. We apply bootstrapping to assess a linear property model linking the 57Fe Moessbauer isomer shift to the contact electron density at the iron nucleus for a diverse set of 44 molecular iron compounds. The contact electron density is calculated with twelve density functionals across Jacob's ladder (PWLDA, BP86, BLYP, PW91, PBE, M06-L, TPSS, B3LYP, B3PW91, PBE0, M06, TPSSh). We provide systematic-error diagnostics and reliable, locally resolved uncertainties for isomer-shift predictions. Pure and hybrid density functionals yield average prediction uncertainties of 0.06-0.08 mm/s and 0.04-0.05 mm/s, respectively, the latter being close to the average experimental uncertainty of 0.02 mm/s. Furthermore, we show that both model parameters and prediction uncertainty depend significantly on the composition and number of reference data points. Accordingly, we suggest that rankings of density functionals based on performance measures (e.g., the coefficient of correlation, r2, or the root-mean-square error, RMSE) should not be inferred from a single data set. This study presents the first statistically rigorous calibration analysis for theoretical Moessbauer spectroscopy, which is of general applicability for physico-chemical property models and not restricted to isomer-shift predictions. We provide the statistically meaningful reference data set MIS39 and a new calibration of the isomer shift based on the PBE0 functional.Comment: 49 pages, 9 figures, 7 table

A fully (3+1)-D Regge calculus model of the Kasner cosmology

We describe the first discrete-time 4-dimensional numerical application of Regge calculus. The spacetime is represented as a complex of 4-dimensional simplices, and the geometry interior to each 4-simplex is flat Minkowski spacetime. This simplicial spacetime is constructed so as to be foliated with a one parameter family of spacelike hypersurfaces built of tetrahedra. We implement a novel two-surface initial-data prescription for Regge calculus, and provide the first fully 4-dimensional application of an implicit decoupled evolution scheme (the ``Sorkin evolution scheme''). We benchmark this code on the Kasner cosmology --- a cosmology which embodies generic features of the collapse of many cosmological models. We (1) reproduce the continuum solution with a fractional error in the 3-volume of 10^{-5} after 10000 evolution steps, (2) demonstrate stable evolution, (3) preserve the standard deviation of spatial homogeneity to less than 10^{-10} and (4) explicitly display the existence of diffeomorphism freedom in Regge calculus. We also present the second-order convergence properties of the solution to the continuum.Comment: 22 pages, 5 eps figures, LaTeX. Updated and expanded versio

Constant Crunch Coordinates for Black Hole Simulations

We reinvestigate the utility of time-independent constant mean curvature foliations for the numerical simulation of a single spherically-symmetric black hole. Each spacelike hypersurface of such a foliation is endowed with the same constant value of the trace of the extrinsic curvature tensor, $K$. Of the three families of $K$-constant surfaces possible (classified according to their asymptotic behaviors), we single out a sub-family of singularity-avoiding surfaces that may be particularly useful, and provide an analytic expression for the closest approach such surfaces make to the singularity. We then utilize a non-zero shift to yield families of $K$-constant surfaces which (1) avoid the black hole singularity, and thus the need to excise the singularity, (2) are asymptotically null, aiding in gravity wave extraction, (3) cover the physically relevant part of the spacetime, (4) are well behaved (regular) across the horizon, and (5) are static under evolution, and therefore have no ``grid stretching/sucking'' pathologies. Preliminary numerical runs demonstrate that we can stably evolve a single spherically-symmetric static black hole using this foliation. We wish to emphasize that this coordinatization produces $K$-constant surfaces for a single black hole spacetime that are regular, static and stable throughout their evolution.Comment: 14 pages, 9 figures. Formatted using Revtex4. To appear Phys. Rev. D 2001, Added numerical results, updated references and revised figure

Measuring degree-degree association in networks

The Pearson correlation coefficient is commonly used for quantifying the global level of degree-degree association in complex networks. Here, we use a probabilistic representation of the underlying network structure for assessing the applicability of different association measures to heavy-tailed degree distributions. Theoretical arguments together with our numerical study indicate that Pearson's coefficient often depends on the size of networks with equal association structure, impeding a systematic comparison of real-world networks. In contrast, Kendall-Gibbons' $\tau_{b}$ is a considerably more robust measure of the degree-degree association

Components of multifractality in the Central England Temperature anomaly series

We study the multifractal nature of the Central England Temperature (CET) anomaly, a time series that spans more than 200 years. The series is analyzed as a complete data set and considering a sliding window of 11 years. In both cases, we quantify the broadness of the multifractal spectrum as well as its components defined by the deviations from the Gaussian distribution and the influence of the dependence between measurements. The results show that the chief contribution to the multifractal structure comes from the dynamical dependencies, mainly the weak ones, followed by a residual contribution of the deviations from Gaussianity. However, using the sliding window, we verify that the spikes in the non-Gaussian contribution occur at very close dates associated with climate changes determined in previous works by component analysis methods. Moreover, the strong non-Gaussian contribution found in the multifractal measures from the 1960s onwards is in agreement with global results very recently proposed in the literature.Comment: 21 pages, 10 figure

Monte Carlo Generation of Bohmian Trajectories

We report on a Monte Carlo method that generates one-dimensional trajectories for Bohm's formulation of quantum mechanics that doesn't involve differentiation or integration of any equations of motion. At each time, t=n\delta t (n=1,2,3,...), N particle positions are randomly sampled from the quantum probability density. Trajectories are built from the sorted N sampled positions at each time. These trajectories become the exact Bohm solutions in the limits N->\infty and \delta t -> 0. Higher dimensional problems can be solved by this method for separable wave functions. Several examples are given, including the two-slit experiment.Comment: 10 pages, 6 figure