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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Water-anion hydrogen bonding dynamics: Ultrafast IR experiments and simulations

Many of water’s remarkable properties arise from its tendency to form an intricate and robust hydrogen bond network. Understanding the dynamics that govern this network is fundamental to elucidating the behavior of pure water and water in biological and physical systems. In ultrafast nonlinear infrared experiments, the accessible time scales are limited by water’s rapid vibrational relaxation (1.8 ps for dilute HOD in H 2 O), precluding interrogation of slow hydrogen bond evolution in non-bulk systems. Here in this paper, hydrogen bonding dynamics in bulk D 2 O were studied from the perspective of the much longer lived (36.2 ps) CN stretch mode of selenocyanate (SeCN-) using polarization selective pump-probe (PSPP) experiments, two-dimensional infrared (2D IR) vibrational echo spectroscopy, and molecular dynamics simulations. The simulations make use of the empirical frequency mapping approach, applied to SeCN - for the first time. The PSPP experiments and simulations show that the orientational correlation function decays via fast (2.0 ps) restricted angular diffusion (wobbling-in-a-cone) and complete orientational diffusive randomization (4.5 ps). Spectral diffusion, quantified in terms of the frequency-frequency correlation function, occurs on two time scales. The initial 0.6 ps time scale is attributed to small length and angle fluctuations of the hydrogen bonds between water and SeCN - . The second 1.4 ps measured time scale, identical to that for HOD in bulk D 2 O, reports on the collective reorganization of the water hydrogen bond network around the anion. Lastly, the experiments and simulations provide details of the anion-water hydrogen bonding and demonstrate that SeCN- is a reliable vibrational probe of the ultrafast spectroscopy of water.

14 SOLAR ENERGY↗
NASA NTRS1991

Void statistics of the CfA redshift survey

Clustering properties of two samples from the CfA redshift survey, each containing about 2500 galaxies, are studied. A comparison of the velocity distributions via a K-S test reveals structure on scales comparable with the extent of the survey. The void probability function (VPF) is employed for these samples to examine the structure and to test for scaling relations in the galaxy distribution. The galaxy correlation function is calculated via moments of galaxy counts. The shape and amplitude of the correlation function roughly agree with previous determinations. The VPFs for distance-limited samples of the CfA survey do not match the scaling relation predicted by the hierarchical clustering models. On scales not greater than 10/h Mpc, the VPFs for these samples roughly follow the hierarchical pattern. A variant of the VPF which uses nearly all the data in magnitude-limited samples is introduced; it accounts for the variation of the sampling density with velocity in a magnitude-limited survey.

Vogeley, Michael S.↗
DOE OSTI2014

FERMI LARGE AREA TELESCOPE DETECTION OF GRAVITATIONAL LENS DELAYED γ-RAY FLARES FROM BLAZAR B0218+357

Using data from the Fermi Large Area Telescope (LAT), we report the first clear γ-ray measurement of a delay between flares from the gravitationally lensed images of a blazar. The delay was detected in B0218+357, a known double-image lensed system, during a period of enhanced γ-ray activity with peak fluxes consistently observed to reach >20-50 × its previous average flux. An auto-correlation function analysis identified a delay in the γ-ray data of 11.46 ± 0.16 days (1σ) that is ∼1 day greater than previous radio measurements. Considering that it is beyond the capabilities of the LAT to spatially resolve the two images, we nevertheless decomposed individual sequences of superposing γ-ray flares/delayed emissions. In three such ∼8-10 day-long sequences within a ∼4 month span, considering confusion due to overlapping flaring emission and flux measurement uncertainties, we found flux ratios consistent with ∼1, thus systematically smaller than those from radio observations. During the first, best-defined flare, the delayed emission was detailed with a Fermi pointing, and we observed flux doubling timescales of ∼3-6 hr implying as well extremely compact γ-ray emitting regions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Projection-operator methods for classical transport in magnetized plasmas. Part 2. Nonlinear response and the Burnett equations [Projection-operator methods for classical transport in magnetized plasmas. Part 1. Nonlinear response and the Burnett equations]

The time-independent projection-operator formalism for the derivation of Burnett equations is extended and considered in the context of multispecies and magnetized plasmas. The procedure provides specific formulas for transport coefficients in terms of two-time correlation functions involving both two and three phase-space points. It is shown how to calculate those correlation functions in the limit of weak coupling. The results are used to demonstrate, with the aid of a particular non-trivial example, that the Chapman–Enskog methodology employed by Catto & Simakov (CS) (Phys. Plasmas, vol. 11, 2004, pp. 90–102) to calculate the contributions to the parallel viscosity driven by temperature gradients is consistent with formulas previously derived from the two-time formalism by Brey (J. Chem. Phys., vol. 79, 1983, pp. 4585–4598). Here, the work serves to unify previous work on plasma kinetic theory with formalism usually applied to turbulence. Additional contributions include discussions of (i) Braginskii-order interspecies momentum exchange from the point of view of two-time correlations; and (ii) a simple stochastic model, unrelated to many-body theory, that exhibits Burnett effects. Insights from that model emphasize the role of non-Gaussian statistics in the evaluation of Burnett transport coefficients, including the effects calculated by CS that stem from the nonlinear collision operator. Together, Parts 1 and 2 of this series provide an introduction to projection-operator methods that should be broadly useful in theoretical plasma physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Nonlinear development of the two-plasmon decay instability in three dimensions

Most recent experiments on the excitation of the two plasmon-decay (TPD) instability involve a three-dimensional (3D) array of overlapping laser beams. Our recent two dimensional (2D) simulations suggested that Langmuir cavitation and collapse are important nonlinear saturation mechanisms for TPD. There are important quantitative differences in the Langmuir collapse process in 2D and 3D. To address these and other issues, we have developed a 3D Zakharov code. It has been applied to study the evolution of TPD from absolute instabilities (arising from 3D laser geometries) to the nonlinear state (J. Zhang et al., Phys. Rev. Lett. (submitted)). The present paper concentrates on the nonlinear saturated state excited by the collective action of two crossed laser beams with arbitrary polarizations. Remarkable agreement between 3D and 2D simulations is found for several averaged physical quantities when the beams are polarized in their common plane. As in the previous 2D simulations, we find: (a) the collective, initially convectively unstable triad modes dominate after a sub-picosecond burst, (b) Langmuir cavitation and collapse are important nonlinearities, and (c) that the statistics of intense cavitons are characteristic of a Gaussian random process. The 3D steady-state saturated Langmuir energy level is about 30% higher than in 2D. The auto-correlation functions of the Langmuir envelope field and of the low-frequency electron density field yield the spatial shape of the strongest collapsing cavitons which are 3D ellipsoids whose orientation depends on the laser polarizations. This tilting of the caviton's strongest electric field direction away from the normal to the target surface is a major new 3D result. This tilting may deflect the hot electron flux and thereby mitigate target preheat.

Vu, H. X.↗
DOE OSTI2017

Constraints on the Optical Depth of Galaxy Groups and Clusters

Future data from galaxy redshift surveys, combined with high-resolutions maps of the cosmic microwave background, will enable measurements of the pairwise kinematic Sunyaev–Zel’dovich (kSZ) signal with unprecedented statistical significance. This signal probes the matter-velocity correlation function, scaled by the average optical depth (τ) of the galaxy groups and clusters in the sample, and is thus of fundamental importance for cosmology. However, in order to translate pairwise kSZ measurements into cosmological constraints, external constraints on τ are necessary. In this work, we present a new model for the intracluster medium, which takes into account star formation, feedback, non-thermal pressure, and gas cooling. Our semi-analytic model is computationally efficient and can reproduce results of recent hydrodynamical simulations of galaxy cluster formation. We calibrate the free parameters in the model using recent X-ray measurements of gas density profiles of clusters, and gas masses of groups and clusters. Our observationally calibrated model predicts the average τ{sub 500} (i.e., the integrated τ within a disk of size R {sub 500}) to better than 6% modeling uncertainty (at 95% confidence level). If the remaining uncertainties associated with other astrophysical uncertainties and X-ray selection effects can be better understood, our model for the optical depth should break the degeneracy between optical depth and cluster velocity in the analysis of future pairwise kSZ measurements and improve cosmological constraints with the combination of upcoming galaxy and CMB surveys, including the nature of dark energy, modified gravity, and neutrino mass.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1983

Correlation methods

A method for processing complex radar data with a computer using correlation functions is reviewed. Parameters including data storage, data reduction, and real time operation are addressed. Since complex auto- and cross-correlation functions are calculated and stored, almost no information is lost. These also can be analyzed in terms of the full correlation analysis of the spaced-antenna-drifts technique. The proposed approach therefore appears to be very feasible to suit most Mesosphere-Stratosphere-Troposphere (MST) radar applications.

Rottger, J.↗
DOE OSTI2017

Correlators in the $ \mathcal{N}=2 $ supersymmetric SYK model

We study correlation functions in the one-dimensional $ \mathcal{N}=2 $ supersymmetric SYK model. The leading order 4-point correlation functions are computed by summing over ladder diagrams expanded in a suitable basis of conformal eigenfunctions. A novelty of the $ \mathcal{N}=2 $ model is that both symmetric and antisymmetric eigenfunctions are required. Although we use a component formalism, we verify that the operator spectrum and 4-point functions are consistent with $ \mathcal{N}=2 $ supersymmetry. Here, we also confirm the maximally chaotic behavior of this model and comment briefly on its 6-point functions.

1/N Expansion↗
DOE OSTI2016

Clustering properties of g -selected galaxies at z ~ 0.8

In current and future large redshift surveys, as the Sloan Digital Sky Survey IV extended Baryon Oscillation Spectroscopic Survey (SDSS-IV/eBOSS) or the Dark Energy Spectroscopic Instrument (DESI), we will use emission-line galaxies (ELGs) to probe cosmological models by mapping the large-scale structure of the Universe in the redshift range 0.6 < z < 1.7. We explore the halo-galaxy connection, with current data and by measuring three clustering properties of g-selected ELGs as matter tracers in the redshift range 0.6 < z < 1: (i) the redshift-space two-point correlation function using spectroscopic redshifts from the BOSS ELG sample and VIPERS; (ii) the angular two-point correlation function on the footprint of the CFHT-LS; (iii) the galaxy-galaxy lensing signal around the ELGs using the CFHTLenS. Furthermore, we interpret these observations by mapping them on to the latest high-resolution MultiDark Planck N-body simulation, using a novel (Sub)Halo-Abundance Matching technique that accounts for the ELG incompleteness. ELGs at z ~ 0.8 live in haloes of (1 ± 0.5) × 10 12 h -1 M⊙ and 22.5 ± 2.5 per cent of them are satellites belonging to a larger halo. The halo occupation distribution of ELGs indicates that we are sampling the galaxies in which stars form in the most efficient way, according to their stellar-to-halo mass ratio.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Isospin 0 and 2 two-pion scattering at physical pion mass using all-to-all propagators with periodic boundary conditions in lattice QCD

A study of two-pion scattering for the isospin channels, 𝐼 = 0 and 𝐼 = 2, using lattice QCD is presented. Möbius domain-wall fermions, on top of the Iwasaki-DSDR gauge action for gluons with periodic boundary conditions, are used for the lattice computations, which are carried out on two ensembles of gauge field configurations generated by the RBC and UKQCD Collaborations with physical masses, inverse lattice spacings of 1.023 and 1.378 GeV, and spatial extents of 𝐿 = 4.63 and 4.58 fm, respectively. The all-to-all propagator method is employed to compute a matrix of correlation functions of two-pion operators. The generalized eigenvalue problem (GEVP) is solved for a matrix of correlation functions to extract phase shifts with multiple states—two pions with a nonzero relative momentum, as well as two pions at rest. Our results for phase shifts for both the 𝐼 = 0 and 𝐼 = 2 channels are consistent with the Roy equation and chiral perturbation theory, though at this preliminary stage our errors for 𝐼 = 0 are large. An important outcome of this work is that we are successful in extracting two-pion excited states, which are useful for studying 𝐾 → 𝜋⁢𝜋 decay, on physical-mass ensembles using the GEVP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1974

Correlation of turbulent trailing vortex decay data

A correlation function, derived on the basis of self similar variable eddy viscosity decay, is introduced and utilized to correlate aircraft trailing vortex velocity data from ground and flight experiments. The correlation function collapses maximum tangential velocity data from scale model and flight tests to a single curve. The resulting curve clearly shows both the inviscid plateau and the downstream decay regions. A comparison between experimental data and numerical solution shows closer agreement with the variable eddy viscosity solution than the constant viscosity analytical solution.

Iversen, J. D.↗
DOE OSTI2014

Two-gluon correlations in heavy–light ion collisions: Energy and geometry dependence, IR divergences, and k T -factorization

Here, we study the properties of the cross section for two-gluon production in heavy–light ion collisions derived in our previous paper in the saturation/Color Glass Condensate framework. Concentrating on the energy and geometry dependence of the corresponding correlation functions we find that the two-gluon correlator is a much slower function of the center-of-mass energy than the one- and two-gluon production cross sections. The geometry dependence of the correlation function leads to stronger azimuthal near- and away-side correlations in the tip-on-tip U + U collisions than in the side-on-side U + U collisions, an exactly opposite behavior from the correlations generated by the elliptic flow of the quark–gluon plasma: a study of azimuthal correlations in the U + U collisions may thus help to disentangle the two sources of correlations. We demonstrate that the cross section for two-gluon production in heavy–light ion collisions contains a power-law infrared (IR) divergence even for fixed produced gluon momenta: while saturation effects in the target regulate some of the power-law IR-divergent terms in the lowest-order expression for the two-gluon correlator, other power-law IR-divergent terms remain, possibly due to absence of saturation effects in the dilute projectile. Finally we rewrite our result for the two-gluon production cross-section in a k T -factorized form, obtaining a new factorized expression involving a convolution of one- and two-gluon Wigner distributions over both the transverse momenta and impact parameters. Lastly, we show that the two-gluon production cross-section depends on two different types of unintegrated two-gluon Wigner distribution functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1958

Statistical Study of Turbulence: Spectral Functions and Correlation Coefficients

In reading the publications on turbulence of different authors, one often runs the risk of confusing the various correlation coefficients and turbulence spectra. We have made a point of defining, by appropriate concepts, the differences which exist between these functions. Besides, we introduce in the symbols a few new characteristics of turbulence. In the first chapter, we study some relations between the correlation coefficients and the different turbulence spectra. Certain relations are given by means of demonstrations which could be called intuitive rather than mathematical. In this way we demonstrate that the correlation coefficients between the simultaneous turbulent velocities at two points are identical, whether studied in Lagrange's or in Euler's systems. We then consider new spectra of turbulence, obtained by study of the simultaneous velocities along a straight line of given direction. We determine some relations between these spectra and the correlation coefficients. Examining the relation between the spectrum of the turbulence measured at a fixed point and the longitudinal-correlation curve given by G. I. Taylor, we find that this equation is exact only when the coefficient is very small.

Frenkiel, Francois N.↗
NASA NTRS1993

The three-point function as a probe of models for large-scale structure

The consequences of models of structure formation for higher-order (n-point) galaxy correlation functions in the mildly non-linear regime are analyzed. Several variations of the standard Omega = 1 cold dark matter model with scale-invariant primordial perturbations were recently introduced to obtain more power on large scales, R(sub p) is approximately 20 h(sup -1) Mpc, e.g., low-matter-density (non-zero cosmological constant) models, 'tilted' primordial spectra, and scenarios with a mixture of cold and hot dark matter. They also include models with an effective scale-dependent bias, such as the cooperative galaxy formation scenario of Bower, etal. It is shown that higher-order (n-point) galaxy correlation functions can provide a useful test of such models and can discriminate between models with true large-scale power in the density field and those where the galaxy power arises from scale-dependent bias: a bias with rapid scale-dependence leads to a dramatic decrease of the hierarchical amplitudes Q(sub J) at large scales, r is approximately greater than R(sub p). Current observational constraints on the three-point amplitudes Q(sub 3) and S(sub 3) can place limits on the bias parameter(s) and appear to disfavor, but not yet rule out, the hypothesis that scale-dependent bias is responsible for the extra power observed on large scales.

Frieman, Joshua A.↗
DOE OSTI2020

Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization

Abstract Within density functional theory (DFT), adding a Hubbard U correction can mitigate some of the deficiencies of local and semi-local exchange-correlation functionals, while maintaining computational efficiency. However, the accuracy of DFT+U largely depends on the chosen Hubbard U values. We propose an approach to determining the optimal U parameters for a given material by machine learning. The Bayesian optimization (BO) algorithm is used with an objective function formulated to reproduce the band structures produced by more accurate hybrid functionals. This approach is demonstrated for transition metal oxides, europium chalcogenides, and narrow-gap semiconductors. The band structures obtained using the BO U values are in agreement with hybrid functional results. Additionally, comparison to the linear response (LR) approach to determining U demonstrates that the BO method is superior.

Chemistry↗
DOE OSTI2014

Analyzing the errors of DFT approximations for compressed water systems

We report an extensive study of the errors of density functional theory (DFT) approximations for compressed water systems. The approximations studied are based on the widely used PBE and BLYP exchange-correlation functionals, and we characterize their errors before and after correction for 1- and 2-body errors, the corrections being performed using the methods of Gaussian approximation potentials. The errors of the uncorrected and corrected approximations are investigated for two related types of water system: first, the compressed liquid at temperature 420 K and density 1.245 g/cm{sup 3} where the experimental pressure is 15 kilobars; second, thermal samples of compressed water clusters from the trimer to the 27-mer. For the liquid, we report four first-principles molecular dynamics simulations, two generated with the uncorrected PBE and BLYP approximations and a further two with their 1- and 2-body corrected counterparts. The errors of the simulations are characterized by comparing with experimental data for the pressure, with neutron-diffraction data for the three radial distribution functions, and with quantum Monte Carlo (QMC) benchmarks for the energies of sets of configurations of the liquid in periodic boundary conditions. The DFT errors of the configuration samples of compressed water clusters are computed using QMC benchmarks. We find that the 2-body and beyond-2-body errors in the liquid are closely related to similar errors exhibited by the clusters. For both the liquid and the clusters, beyond-2-body errors of DFT make a substantial contribution to the overall errors, so that correction for 1- and 2-body errors does not suffice to give a satisfactory description. For BLYP, a recent representation of 3-body energies due to Medders, Babin, and Paesani [J. Chem. Theory Comput. 9, 1103 (2013)] gives a reasonably good way of correcting for beyond-2-body errors, after which the remaining errors are typically 0.5 mE{sub h} ≃ 15 meV/monomer for the liquid and the clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Cross-Correlation Asymmetries and Causal Relationships between Stock and Market Risk

We study historical correlations and lead-lag relationships between individual stock risk (volatility of daily stock returns) and market risk (volatility of daily returns of a market-representative portfolio) in the US stock market. We consider the cross-correlation functions averaged over all stocks, using 71 stock prices from the Standard & Poor’s 500 index for 1994–2013. We focus on the behavior of the cross-correlations at the times of financial crises with significant jumps of market volatility. The observed historical dynamics showed that the dependence between the risks was almost linear during the US stock market downturn of 2002 and after the US housing bubble in 2007, remaining at that level until 2013. Moreover, the averaged cross-correlation function often had an asymmetric shape with respect to zero lag in the periods of high correlation. We develop the analysis by the application of the linear response formalism to study underlying causal relations. The calculated response functions suggest the presence of characteristic regimes near financial crashes, when the volatility of an individual stock follows the market volatility and vice versa.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

Two-dimensional phase transition in a strongly nonideal dusty plasma

We consider the results of experimental observation of melting of a plasma-dust monolayer (2D phase transition) in a low-pressure gas discharge. Pair and bond-angular correlation functions as well as the number of topological defects in the monolayer are measured and analyzed. The change of profile of the bond-angular correlation functions confirms the existence of the solid-hexatic phase-liquid phase transition, which completely correlates with the Berezinskii-Kosterlitz-Thouless theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗