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At least 451 records · Page 25

Mappings and accuracy for Chebyshev pseudo-spectral approximations

The effect of mappings on the approximation, by Chebyshev collocation, of functions which exhibit localized regions of rapid variation is studied. A general strategy is introduced whereby mappings are adaptively constructed which map specified classes of rapidly varying functions into low order polynomials which can be accurately approximated by Chebyshev polynomial expansions. A particular family of mappings constructed in this way is tested on a variety of rapidly varying functions similar to those occurring in approximations. It is shown that the mapped function can be approximated much more accurately by Chebyshev polynomial approximations than in physical space or where mappings constructed from other strategies are employed.

Bayliss, Alvin↗

Mappings and accuracy for Chebyshev pseudo-spectral approximations

The effect of mappings on the approximation, by Chebyshev collocation, of functions which exhibit localized regions of rapid variation is studied. A general strategy is introduced whereby mappings are adaptively constructed which map specified classes of rapidly varying functions into low order polynomials which can be accurately approximated by Chebyshev polynomial expansions. A particular family of mappings constructed in this way is tested on a variety of rapidly varying functions similar to those occurring in approximations. It is shown that the mapped function can be approximated much more accurately by Chebyshev polynomial approximations than in physical space or where mappings constructed from other strategies are employed.

Bayliss, Alvin↗

A model function for ocean radar cross sections at 14.6 GHz

The relationship between the ocean's normalized radar cross section (NRCS) at 14.6 GHz and the surface wind vector is derived using the 3 months of Seasat microwave scatterometer (SASS) measurements. The derivation is based on the statistics of the SASS observations, and no in situ measurements are required, other than a mean global wind speed, which comes from climatology. The frequency distribution of the global wind vectors observed by SASS is assumed to be a bivariate normal probability function. A NRCS model function is found that maps the assumed wind vector statistics into the observed SASS NRCS statistics. This function is compared with a NRCS model coming from the Joint Air Sea Interaction Experiment (JASIN) and with aircraft scatterometer measurements. The results indicate that the statistically derived NRCS model is an improvement over the JASIN model, which was based on a limited number of in situ anemometer measurements.

Wentz, F. J.↗

Mapping the hadronization description in the Pythia MCEG to the correlation functions of TMD factorization

In a collaboration between Jefferson Lab and the Pythia collaboration, we aim to map the non-perturbative description of hadronization in the Pythia Monte Carlo Event Generator (MCEG) to the correlation functions of TMD factorization. In a LDRD project, we investigate the connection between the description of hadronization phenomena in nuclear and high-energy physics, work towards a MCEG for TMDs, and by doing so make fundamental contributions to the theoretical framework for TMDs.

Diefenthaler, Markus↗

Antiferromagnetic spinor condensates are quantum rotors

We establish a theoretical correspondence between spin-one antiferromagnetic spinor condensates in an external magnetic field and quantum rotor models in an external potential. We show that the rotor model provides a conceptually clear picture of the possible phases and dynamical regimes of the antiferromagnetic condensate. We also show that this mapping simplifies calculations of the condensate's spectrum and wave functions. We use the rotor mapping to describe the different dynamical regimes recently observed in {sup 23}Na condensates [Phys. Rev. Lett. 102, 125301 (2009); Phys. Rev. Lett. 102, 225301 (2009)]. We also suggest a way to experimentally observe quantum-mechanical effects (collapse and revival) in spinor condensates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Expansion Behavior and Temperature Mapping of Thermites in Burn Tubes as a Function of Fill Length [Thermal Imaging of Thermite Flame Propagation]

The reaction of loosely-packed aluminum/copper oxide (Al/CuO) thermites in a 12 cm long acrylic burn tube was investigated as a function of the fill length from 2 to 10 cm. The velocity of the luminous front was measured both in the filled and unfilled region, and approached 1000 m s-1 in the unfilled region, independent of the fill length. This value is approximately a factor of two higher than the fastest velocity measured in the filled region, 606 m s-1, for the 10 cm filled tube. The velocity increase in the unfilled region ist likely due to the increased open porosity, which can support faster flow velocities for a given pressure gradient relative to that in the porous material. A high-speed color imaging pyrometer was used to thermally map the evolution of the flame in both regions. Near the luminous front in the filled section, the temperature was observed to rapidly increase in a 1–2 cm zone to a maximum value near 3200 K, and an average value near 3000 K was sustained in the wake well after the front passes and exits the tube. In partially-filled tubes, even for the lowest fill length of 2 cm, the intermediate and/or product species could be seen to expand forward and completely fill the tube with a sustained temperature of ca. 3000 K. This temperature did not decay during the expansion, suggesting that the material continues to react as it expands. The results raise several questions about what a burn tube experiment is really measuring; such as what fraction of the material has burned when the luminous front passes and what role open cracks or microstructures play in promoting transport. Lastly, these questions are critically important towards developing a predictive capability for confined, loosely packed deflagrations.

36 MATERIALS SCIENCE↗

Universality of the critical point mapping between Ising model and QCD at small quark mass

The universality of the QCD equation of state near the critical point is expressed by mapping pressure as a function of temperature $T$ and baryon chemical potential $μ$ in QCD to Gibbs free energy as a function of reduced temperature $r$ and magnetic field $h$ in the Ising model. The mapping parameters are, in general, not universal, i.e., determined by details of the microscopic dynamics rather than by symmetries and long-distance dynamics. In this paper we point out that in the limit of small quark masses, when the critical point is close to the tricritical point, the mapping parameters show universal dependence on the quark mass $m_ q$. In particular, the angle between the $r = 0$ and $h = 0$ lines in the $(μ, T)$ plane vanishes as $m^{2/5}_q$. We discuss possible phenomenological consequences of these findings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Shock-driven transition to turbulence: Emergence of power-law scaling

Here, we consider two cases of interaction between a planar shock and a cylindrical density interface. In the first case (planar normal shock), the axis of the gas cylinder is parallel to the shock front and baroclinic vorticity deposited by the shock is predominantly two dimensional (directed along the axis of the cylinder). In the second case, the cylinder is tilted, resulting in an oblique shock interaction and a fully-three-dimensional shock-induced vorticity field. Furthermore, the statistical properties of the flow for both cases are analyzed based on images from two orthogonal visualization planes, using structure functions of the intensity maps of fluorescent tracer premixed with heavy gas. And at later times, these structure functions exhibit power-law-like behavior over a considerable range of scales. Manifestation of this behavior is remarkably consistent in terms of dimensionless time τ defined based on Richtmyer's linear theory within the range of Mach numbers from 1.1 to 2.0 and the range of gas cylinder tilt angles with respect to the plane of the shock front (0–30°).

42 ENGINEERING↗

Few-body physics with CLAS

The study of few-body, nuclear systems with electromagnetic probes is an essential piece of the scientific program at Jefferson Lab. Reactions using real photons and electrons (up to energies of 6 GeV) are measured using the CEBAF large acceptance spectrometer (CLAS) detector in Hall B, a nearly 4π magnetic spectrometer. We focus here on three areas. (1) Short-range correlations (SRCs) probe the high-momentum components of the nuclear wave function. Recent CLAS experiments map out their isospin character and reveal the importance of the tensor part of the nuclear force. (2) Three-body forces are an essential feature of nuclei. We will show results using real photons and 3He and 4He targets that remain largely unexplained. (3) Evidence for the transition to a quark-gluon description of nuclei has been observed with photon beams in CLAS on deuterium and 3-He targets. Alternative explanations reveal the geography of the transition is complex.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Deformation Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding are studied at 25°C and 400°C. Cu/Nb NMMs with individual layer thicknesses between 7 nm and 63 nm were tested by in situ micropillar compression inside a scanning electron microscope. Yield strength, strain-rate sensitivities and activation volumes were obtained from the pillar compression tests. The deformed micropillars were examined under scanning and transmission electron microscopy in order to examine the deformation mechanisms active for different layer thicknesses and temperatures. The paper suggests that room temperature deformation was determined by dislocation glide at larger layer thicknesses and interface-related mechanisms at the thinner layer thicknesses. The high-temperature compression tests, in contrast, revealed superior thermo-mechanical stability and strength retention for the NMMs with larger layer thicknesses with deformation controlled by dislocation glide. A remarkable transition in deformation mechanism occurred as the layer thickness decreased, to a deformation response controlled by diffusion processes along the interfaces, which resulted in temperature-induced softening. Finally, a deformation mechanism map, in terms of layer thickness and temperature, is proposed from the results obtained in this investigation.

36 MATERIALS SCIENCE↗

Identification of functional elements and regulatory circuits by Drosophila modENCODE

To gain insight into how genomic information is translated into cellular and developmental programs, the Drosophila model organism Encyclopedia of DNA Elements (modENCODE) project is comprehensively mapping transcripts, histone modifications, chromosomal proteins, transcription factors, replication proteins and intermediates, and nucleosome properties across a developmental time course and in multiple cell lines. We have generated more than 700 data sets and discovered protein-coding, noncoding, RNA regulatory, replication, and chromatin elements, more than tripling the annotated portion of the Drosophila genome. Correlated activity patterns of these elements reveal a functional regulatory network, which predicts putative new functions for genes, reveals stage- and tissue-specific regulators, and enables gene-expression prediction. Our results provide a foundation for directed experimental and computational studies in Drosophila and related species and also a model for systematic data integration toward comprehensive genomic and functional annotation. Several years after the complete genetic sequencing of many species, it is still unclear how to translate genomic information into a functional map of cellular and developmental programs. The Encyclopedia of DNA Elements (ENCODE) (1) and model organism ENCODE (modENCODE) (2) projects use diverse genomic assays to comprehensively annotate the Homo sapiens (human), Drosophila melanogaster (fruit fly), and Caenorhabditis elegans (worm) genomes, through systematic generation and computational integration of functional genomic data sets. Previous genomic studies in flies have made seminal contributions to our understanding of basic biological mechanisms and genome functions, facilitated by genetic, experimental, computational, and manual annotation of the euchromatic and heterochromatic genome (3), small genome size, short life cycle, and a deep knowledge of development, gene function, and chromosome biology. The functions of {approx}40% of the protein and nonprotein-coding genes [FlyBase 5.12 (4)] have been determined from cDNA collections (5, 6), manual curation of gene models (7), gene mutations and comprehensive genome-wide RNA interference screens (8-10), and comparative genomic analyses (11, 12). The Drosophila modENCODE project has generated more than 700 data sets that profile transcripts, histone modifications and physical nucleosome properties, general and specific transcription factors (TFs), and replication programs in cell lines, isolated tissues, and whole organisms across several developmental stages (Fig. 1). Here, we computationally integrate these data sets and report (i) improved and additional genome annotations, including full-length proteincoding genes and peptides as short as 21 amino acids; (ii) noncoding transcripts, including 132 candidate structural RNAs and 1608 nonstructural transcripts; (iii) additional Argonaute (Ago)-associated small RNA genes and pathways, including new microRNAs (miRNAs) encoded within protein-coding exons and endogenous small interfering RNAs (siRNAs) from 3-inch untranslated regions; (iv) chromatin 'states' defined by combinatorial patterns of 18 chromatin marks that are associated with distinct functions and properties; (v) regions of high TF occupancy and replication activity with likely epigenetic regulation; (vi)mixed TF and miRNA regulatory networks with hierarchical structure and enriched feed-forward loops; (vii) coexpression- and co-regulation-based functional annotations for nearly 3000 genes; (viii) stage- and tissue-specific regulators; and (ix) predictive models of gene expression levels and regulator function.

60 APPLIED LIFE SCIENCES↗

NGNP Risk Management Database: A Model for Managing Risk

The Next Generation Nuclear Plant (NGNP) Risk Management System (RMS) is a database used to maintain the project risk register. The RMS also maps risk reduction activities to specific identified risks. Further functionality of the RMS includes mapping reactor suppliers Design Data Needs (DDNs) to risk reduction tasks and mapping Phenomena Identification Ranking Table (PIRTs) to associated risks. This document outlines the basic instructions on how to use the RMS. This document constitutes Revision 1 of the NGNP Risk Management Database: A Model for Managing Risk. It incorporates the latest enhancements to the RMS. The enhancements include six new custom views of risk data - Impact/Consequence, Tasks by Project Phase, Tasks by Status, Tasks by Project Phase/Status, Tasks by Impact/WBS, and Tasks by Phase/Impact/WBS.

42 ENGINEERING↗

A Measurement of the Galaxy Group-Thermal Sunyaev-Zel’dovich Effect Cross-Correlation Function

Stacking cosmic microwave background maps around known galaxy clusters and groups provides a powerful probe of the distribution of hot gas in these systems via the Sunyaev-Zel'dovich (SZ) effect. A stacking analysis allows one to detect the average SZ signal around low-mass haloes, to extend measurements out to large scales and measure the redshift dependence of the SZ background. Motivated by these exciting prospects, we measure the two-point cross-correlation function between similar to 380 000 galaxy groups (at z = 0.01-0.2) from the Sloan Digital Sky Survey and Compton-y parameter maps constructed by the Planck collaboration. We find statistically significant correlations in each of six separate mass bins, with halo masses ranging from 1011.5 to 1015.5 M(circle dot)h(-1). We compare with halo models of the SZ signal, which describe the stacked measurement in terms of one-halo and two-halo contributions. The onehalo term quantifies the average pressure profile around the groups in a mass bin, while the two-halo term describes the contribution of correlated neighbouring haloes. For the massive groups, we find clear evidence for the one-and two-halo regimes, while groups with mass below 1013M(circle dot)h(-1) are dominated by the two-halo term, given the resolution of Planck data. We use the signal in the two-halo regime to determine the bias-weighted electron pressure of the Universe: < bPe > = 1.50 +/- 0.226 x 10(-7) keV cm(-3) (sigma) at z approximate to 0.15.

Vikram, Vinu↗

Ensuring thermodynamic consistency with invertible coarse-graining

Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insights by isolating the essential degrees of freedom that dictate the thermodynamic properties of a complex, condensed-phase system. The reduced complexity of the model typically leads to lower computational costs and more efficient sampling compared with atomistic models. Designing “good” coarse-grained models is an art. Generally, the mapping from fine-grained configurations to coarse-grained configurations itself is not optimized in any way; instead, the energy function associated with the mapped configurations is. In this work, we explore the consequences of optimizing the coarse-grained representation alongside its potential energy function. We use a graph machine learning framework to embed atomic configurations into a low-dimensional space to produce efficient representations of the original molecular system. Because the representation we obtain is no longer directly interpretable as a real-space representation of the atomic coordinates, we also introduce an inversion process and an associated thermodynamic consistency relation that allows us to rigorously sample fine-grained configurations conditioned on the coarse-grained sampling. We illustrate that this technique is robust, recovering the first two moments of the distribution of several observables in proteins such as chignolin and alanine dipeptide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Estimating physics models and quantifying their uncertainty using optimization with a Bayesian objective function

This paper reports a verification study for a method that fits functions to sets of data from several experiments simultaneously. The method finds a maximum a posteriori probability (MAP) estimate of a function subject to constraints (e. g., convexity in the study), uncertainty about the estimate, and a quantitative characterization of how data from each experiment constrains that uncertainty. While the present work focuses on a model of the Equation Of State (EOS) of gasses produced by detonating a high explosive, the method can be applied to a wide range of physics processes with either parametric or semi-parametric models. As a verification exercise, a reference EOS is used and artificial experimental data sets are created using numerical integration of ordinary differential equations and pseudo-random noise. The method yields an estimate of the EOS that is close to the reference, and identifies how each experiment most constrains the result.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Comparative mapping of Pluto's sub-Charon hemisphere - Three least squares models based on mutual event lightcurves

Observations of Charon transits are used here to derive preliminary maps of Pluto's sub-Charon hemisphere. Three models are used to describe the brightness of Pluto's surface as functions of latitude and longitude. Mapping results are presented using spherical harmonic functions, polynomial functions, and finite elements. A smoothing algorithm applied to the maps is described and the validity and resolution of the maps is tested by reconstruction from synthetic data. A preliminary finding from the maps is that the south polar region has the highest albedo of any location on the planet.

Young, Eliot F.↗

Integration of Soft Data Into Geostatistical Simulation of Categorical Variables

Uncertain or indirect “soft” data, such as geologic interpretation, driller’s logs, geophysical logs or imaging, offer potential constraints or “soft conditioning” to stochastic models of discrete categorical subsurface variables in hydrogeology such as hydrofacies. Previous bivariate geostatistical simulation algorithms have not fully addressed the impact of data uncertainty in formulation of the (co) kriging equations and the objective function in simulated annealing (or quenching). This paper introduces the geostatistical simulation code tsim-s, which accounts for categorical data uncertainty through a data “hardness” parameter. In generating geostatistical realizations with tsim-s, the uncertainty inherent to soft conditioning is factored into both 1) the data declustering and spatial correlation functions in cokriging and 2) the acceptance probability for change of category in simulated quenching. The degree or sensitivity to which soft data conditions a realization as a function of hardness can be quantified by mapping category probabilities derived from multiple realizations. In addition to point or borehole data, arrays of data (e.g., as derived from a depth-dependency function, probability map, or “prior realization”) can be used as soft conditioning. The tsim-s algorithm provides a theoretically sound and general framework for integrating datasets of variable location, resolution, and uncertainty into geostatistical simulation of categorical variables. A practical example shows how tsim-s is capable of generating a large-scale three-dimensional simulation including curvilinear features.

54 ENVIRONMENTAL SCIENCES↗