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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Efficient reconstruction and validation of heterogeneous microstructures for energy applications

The digital reconstruction of microstructures is necessary for simulations in fields ranging from geology to electrochemistry, but the state-of-the-art digital reconstruction techniques often compromise between resolution and field of view. It is challenging to retain detailed microstructure information in large-scale reconstructions. Here, this study investigates different aspects of the Yeong-Torquato algorithm based on correlation functions to make it more efficient. We achieve this goal by reducing the computational complexity of the chord-length distribution function and the two-point correlation function, applying the random sphere-packing method as the initial condition, and restricting potential voxel swaps to interfaces. In addition, a novel superposition parallel scheme is introduced to aid in searching for potential voxel swaps. The algorithm proposed is validated by comparing the pore-size distributions of reconstructed 3D custom battery electrodes from a sample dataset obtained from transmission X-ray microscopy. From a sample image with 200 x 200 pixels, the code can reconstruct a 300 x 300 x 300 structure in under 22 h and reconstruct a 400 x 400 x 400 structure in 43 h with eight cores.

42 ENGINEERING↗
DOE OSTI2024

The Aemulus Project. VI. Emulation of Beyond-standard Galaxy Clustering Statistics to Improve Cosmological Constraints

Abstract There is untapped cosmological information in galaxy redshift surveys in the nonlinear regime. In this work, we use the Aemulus suite of cosmological N -body simulations to construct Gaussian process emulators of galaxy clustering statistics at small scales (0.1–50 h −1 Mpc) in order to constrain cosmological and galaxy bias parameters. In addition to standard statistics—the projected correlation function w p ( r p ), the redshift-space monopole of the correlation function ξ 0 ( s ), and the quadrupole ξ 2 ( s )—we emulate statistics that include information about the local environment, namely the underdensity probability function P U ( s ) and the density-marked correlation function M ( s ). This extends the model of Aemulus III for redshift-space distortions by including new statistics sensitive to galaxy assembly bias. In recovery tests, we find that the beyond-standard statistics significantly increase the constraining power on cosmological parameters of interest: including P U ( s ) and M ( s ) improves the precision of our constraints on Ω m by 27%, σ 8 by 19%, and the growth of structure parameter, f σ 8 , by 12% compared to standard statistics. We additionally find that scales below ∼6 h −1 Mpc contain as much information as larger scales. The density-sensitive statistics also contribute to constraining halo occupation distribution parameters and a flexible environment-dependent assembly bias model, which is important for extracting the small-scale cosmological information as well as understanding the galaxy–halo connection. This analysis demonstrates the potential of emulating beyond-standard clustering statistics at small scales to constrain the growth of structure as a test of cosmic acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Method for suppressing noise in measurements

Methods for suppressing noise in measurements by correlating functions based on at least two different measurements of a system at two different times. In one embodiment, a measurement operation is performed on at least a portion of a system that has a memory. A property of the system is measured during a first measurement period to produce a first response indicative of a first state of the system. Then the property of the system is measured during a second measurement period to produce a second response indicative of a second state of the system. The second measurement is performed after an evolution duration subsequent to the first measurement period when the system still retains a degree of memory of an aspect of the first state. Next, a first function of the first response is combined with a second function of the second response to form a second-order correlation function. Information of the system is then extracted from the second-order correlation function.

Carson, Paul L.↗
NASA NTRS1994

Correlations of galaxies at z = 0.3

The angular correlation functions for galaxies with magnitudes 20 less than b(sub J) less than 21.5 and 21 less than b(sub J) less than 22.5 are measured from photographic images of nine distinct fields. New expressions for the variance of correlation function estimates are used, which show that the nine fields are consistent with a single angular correlation function w(theta) and with previous estimates of its amplitude and slope -- though the errors on previously published w(theta) values are probably underestimated. Assuming a spatial correlation function of the form xi(r,z) = (r/r(sub 0))(exp -gamma)(1 + z)(exp -3-epsilon), and using the measured N(z) for these magnitude ranges, we derive xi(r = 250 kpc/h, z = 0.18) = 48 +/- 10, and xi(r = 250 kpc/h, z = 0.27) = 55(+11; -9) for galaxies in these samples, largely independent of gamma and epsilon (1 sigma errors). This is approximately 2 times lower than the small-scale clustering seen in nearby galaxies at b(sub J) less than 18 (after allowing for modest growth in clustering since z = 0.27), yet very similar to the clustering of the nearby IRAS-selected galaxy population. The correlations of the reddest third of the b(sub J) approximately 22 galaxies, however, are larger and consistent with the b(sub J) less than 18 clustering, not the IRAS clustering, for a clustering growth rate of epsilon equal to or greater than -1. Thus to b(sub J) less than 22.5, most of the apparent evolution in clustering of blue-selected galaxies appears to be due to an increasing fraction of late-type or star-forming galaxies at fainter magnitudes, combined with weaker small-scale clustering for late types. These conclusions are entirely empirical and independent of galaxy evolution models.

Bernstein, G. M.↗
NASA NTRS1996

Galaxy Clustering Around Nearby Luminous Quasars

We examine the clustering of galaxies around a sample of 20 luminous low redshift (z approx. less than 0.30) quasars observed with the Wide Field Camera-2 on the Hubble Space Telescope (HST). The HST resolution makes possible galaxy identification brighter than V = 24.5 and as close as 1 min or 2 min to the quasar. We find a significant enhancement of galaxies within a projected separation of approx. less than 100 1/h kpc of the quasars. If we model the QSO/galaxy correlation function as a power law with a slope given by the galaxy/galaxy correlation function, we find that the ratio of the QSO/galaxy to galaxy/galaxy correlation functions is 3.8 +/- 0.8. The galaxy counts within r less than 15 1/h kpc of the quasars are too high for the density profile to have an appreciable core radius (approx. greater than 100 1/h kpc). Our results reinforce the idea that low redshift quasars are located preferentially in groups of 10-20 galaxies rather than in rich clusters. We see no significant difference in the clustering amplitudes derived from radio-loud and radio-quiet subsamples.

Fisher, Karl B.↗
NASA NTRS1957

Theoretical Calculation of the Power Spectra of the Rolling and Yawing Moments on a Wing in Random Turbulence

The correlation functions and power spectra of the rolling and yawing moments on an airplane wing due to the three components of continuous random turbulence are calculated. The rolling moments to the longitudinal (horizontal) and normal (vertical) components depend on the spanwise distributions of instantaneous gust intensity, which are taken into account by using the inherent properties of symmetry of isotropic turbulence. The results consist of expressions for correlation functions or spectra of the rolling moment in terms of the point correlation functions of the two components of turbulence. Specific numerical calculations are made for a pair of correlation functions given by simple analytic expressions which fit available experimental data quite well. Calculations are made for four lift distributions. Comparison is made with the results of previous analyses which assumed random turbulence along the flight path and linear variations of gust velocity across the span.

Eggleston, John M↗
NASA NTRS1983

Parametrization of Fresnel returns

It appears appropriate to use the intensity correlation function to investigate variations of a reflected signal component, and a scattered signal component, because it is determined by the relative motions, i.e., fluctuations of structual changes. An example of a correlation function is shown which can be separated into three parts: (1) a very fast drop between zero and the neighboring lag which is due to uncorrelated noise; (2) a smooth decrease at small large up to a few seconds which is due to scattering (this decrease can be approximated by a parabola); (3) a rather slow fadeout which is due to Frensel reflection and very gradually approaches zero correlation for longer lags. The noise contribution (part 1) must be eliminated by normalizing the correlation function by means of the zero-lag value which follows from a parabolic approximation. As signal intensity variations are directly connected to turbulent variations in a scattering medium or the changes of a reflecting discontinuity, parts (2) and (3) of the normalized correlation functions in terms of characteristic structure parameters, are evaluated.

Rottger, J.↗
DOE OSTI2016

The Gaussian streaming model and convolution Lagrangian effective field theory

We update the ingredients of the Gaussian streaming model (GSM) for the redshift-space clustering of biased tracers using the techniques of Lagrangian perturbation theory, effective field theory (EFT) and a generalized Lagrangian bias expansion. After relating the GSM to the cumulant expansion, we present new results for the real-space correlation function, mean pairwise velocity and pairwise velocity dispersion including counter terms from EFT and bias terms through third order in the linear density, its leading derivatives and its shear up to second order. We discuss the connection to the Gaussian peaks formalism. We compare the ingredients of the GSM to a suite of large N-body simulations, and show the performance of the theory on the low order multipoles of the redshift-space correlation function and power spectrum. We highlight the importance of a general biasing scheme, which we find to be as important as higher-order corrections due to non-linear evolution for the halos we consider on the scales of interest to us.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Perturbation theory for modeling galaxy bias: validation with simulations of the Dark Energy Survey

We describe perturbation theory (PT) models of galaxy bias for applications to photometric galaxy surveys. We model the galaxy-galaxy and galaxy-matter correlation functions in configuration space and validate against measurements from mock catalogs designed for the Dark Energy Survey (DES). We find that an effective PT model with five galaxy bias parameters provides a good description of the 3D correlation functions above scales of 4 Mpc/$h$ and $z < 1$. Our tests show that at the projected precision of the DES-Year 3 analysis, two of the non-linear bias parameters can be fixed to their co-evolution values, and a third (the $k^2$ term for higher derivative bias) set to zero. The agreement is typically at the 2 percent level over scales of interest, which is the statistical uncertainty of our simulation measurements. To achieve this level of agreement, our {\it fiducial} model requires using the full non-linear matter power spectrum (rather than the 1-loop PT one). We also measure the relationship between the non-linear and linear bias parameters and compare them to their expected co-evolution values. We use these tests to motivate the galaxy bias model and scale cuts for the cosmological analysis of the Dark Energy Survey; our conclusions are generally applicable to all photometric surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Linear point and sound horizon as purely geometric standard rulers

The baryon acoustic oscillations feature (BAO) imprinted in the clustering correlation function is known to furnish us cosmic distance determinations that are independent of the cosmological-background model and the primordial perturbation parameters. These measurements can be accomplished rigorously by means of the purely geometric BAO methods. To date two different purely geometric BAO approaches have been proposed. The first exploits the linear-point standard ruler. The second, called correlation-function model-fitting, exploits the sound-horizon standard ruler. A key difference between them is that, when estimated from clustering data, the linear point makes use of a cosmological-model-independent procedure to extract the ratio of the ruler to the cosmic distance, while the correlation-function model-fitting relies on a phenomenological cosmological model for the correlation function. Nevertheless the two rulers need to be precisely defined independently of any specific observable (e.g., the BAO). We define the linear point and sound horizon and we fully characterize and compare the two rulers’ cosmological-parameter dependence. We find that they are both geometrical (i.e., independent of the primordial cosmological parameters) within the required accuracy, and that they have the same parameter dependence for a wide range of parameter values. We estimate the rulers’ best-fit values and errors, given the cosmological constraints obtained by the Planck Satellite team from their measurements of the cosmic microwave background temperature and polarization anisotropies. We do this for three different cosmological models encompassed by the purely geometric BAO methods. In each case we find that the relative errors of the two rulers coincide and they are insensitive to the assumed cosmological model. Interestingly both the linear point and the sound horizon shift by 0.5σ when we do not fix the spatial geometry to be flat in Λ CDM. Finally, this points toward a sensitivity of the rulers to different cosmological models when they are estimated from the cosmic microwave background.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Calculation of self-diffusion coefficients in supercritical carbon dioxide using mean force kinetic theory

This paper presents an application of mean force kinetic theory (MFT) to the calculation of the self-diffusivity of CO 2 in the supercritical fluid regime. Two modifications to the typical application of MFT are employed to allow its application to a system of molecular species. Therefore, the first is the assumption that the inter-particle potential of mean force can be obtained from the molecule center-of-mass pair correlation function, which in the case of CO 2 is the C–C pair correlation function. The second is a new definition of the Enskog factor that describes the effect of correlations at the surface of the collision volume. The new definition retains the physical picture that this quantity represents a local density increase, resulting from particle correlations, relative to that in the zero density homogeneous fluid limit. These calculations are facilitated by the calculation of pair correlation functions from molecular dynamics (MD) simulations using the FEPM2 molecular CO2 model. The self-diffusivity calculated from theory is in good agreement with that from MD simulations up to and slightly beyond the density at the location of the Frenkel line. The calculation is compared with and is found to perform similarly well to other commonly used models but has a greater potential for application to systems of mixed species and to systems of particles with long range interatomic potentials due to electrostatic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Testing dark matter halo properties using self-similarity

ABSTRACT We use self-similarity in N-body simulations of scale-free models to test for resolution dependence in the mass function and two-point correlation functions of dark matter haloes. We use 10243 particle simulations performed with abacus , and compare results obtained with two halo finders: friends-of-friends (fof ), and rockstar . The fof mass functions show a systematic deviation from self-similarity which is explained by resolution dependence of the fof mass assignment previously reported in the literature. Weak evidence for convergence is observed only starting from haloes of several thousand particles, and mass functions are overestimated by at least as much as $20-25{{\ \rm per\ cent}}$ for haloes of 50 particles. The mass function of the default rockstar halo catalogue (with bound virial spherical overdensity mass), on the other hand, shows good convergence of the order of 50 to 100 particles per halo, with no detectable evidence at the few percent level of any systematic dependence for larger particle number. Tests show that the mass unbinding procedure in rockstar is the key factor in obtaining this much improved resolution. Applying the same analysis to the halo–halo two point correlation function, we find again strong evidence for convergence only for rockstar haloes, at separations sufficiently large so that haloes do not overlap. At these separations, we can exclude dependence on resolution at the $5-10{{\ \rm per\ cent}}$ level once haloes have of the order of 50 to 100 particles. At smaller separations results are not converged even at significantly larger particle number, and bigger simulations would be required to establish the resolution required for convergence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Toward Accurate Adsorption Energetics on Clay Surfaces

Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on clay surfaces is crucial. In this regard computer simulations play an important role, yet the accuracy of widely used empirical force fields (FF) and density functional theory (DFT) exchange-correlation functionals is often unclear in adsorption systems dominated by weak interactions. Herein we present results from quantum Monte Carlo (QMC) for water and methanol adsorption on the prototypical clay kaolinite. To the best of our knowledge, this is the first time QMC has been used to investigate adsorption at a complex, natural surface such as a clay. As well as being valuable in their own right, the QMC benchmarks obtained provide reference data against which the performance of cheaper DFT methods can be tested. Indeed using various DFT exchange-correlation functionals yields a very broad range of adsorption energies, and it is unclear a priori which evaluation is better. QMC reveals that in the systems considered here it is essential to account for van der Waals (vdW) dispersion forces since this alters both the absolute and relative adsorption energies of water and methanol. We show, via FF simulations, that incorrect relative energies can lead to significant changes in the interfacial densities of water and methanol solutions at the kaolinite interface. Despite the clear improvements offered by the vdW-corrected and the vdW-inclusive functionals, absolute adsorption energies are often overestimated, suggesting that the treatment of vdW forces in DFT is not yet a solved problem.

Chemistry↗
NASA NTRS2003

Some Analytic Results for the Study of Broadband Noise Radiation from Wings, Propellers and Jets in Uniform Motion

Alan Powell has made significant contributions to the understanding of many aeroacoustic problems, in particular, the problems of broadband noise from jets and boundary layers. In this paper, some analytic results are presented for the calculation of the correlation function of the broadband noise radiated from a wing, a propeller, and a jet in uniform forward motion. It is shown that, when the observer (or microphone) motion is suitably chosen, the geometric terms of the radiation formula become time independent. The time independence of these terms leads to a significant simplification of the statistical analysis of the radiated noise, even when the near field terms are included. For a wing in forward motion, if the observer is in the moving reference frame, then the correlation function of the near and far field noise can be related to a space-time cross-correlation function of the pressure on the wing surface. A similar result holds for a propeller in forward flight if the observer is in a reference frame that is attached to the propeller and rotates at the shaft speed. For a jet in motion, it is shown that the correlation function of the radiated noise can be related to the space-time crosscorrelation of the Lighthill stress tensor in the jet. Exact analytical results are derived for all three cases. For the cases under present consideration, the inclusion of the near field terms does not introduce additional complexity, as compared to existing formulations that are limited to the far field.

Farassat, F.↗
NASA NTRS2003

Some Analytic Results for the Study of Broadband Noise Radiation from Wings, Propellers and Jets in Uniform Motion

Alan Powell has made significant contributions to the understanding of many aeroacoustic problems, in particular, the problems of broadband noise from jets and boundary layers. In this paper, some analytic results are presented for the calculation of the correlation function of the broadband noise radiated from a wing, a propeller, and a jet in uniform forward motion. It is shown that, when the observer (or microphone) motion is suitably chosen, the geometric terms of the radiation formula become time independent. The time independence of these terms leads to a significant simplification of the statistical analysis of the radiated noise, even when the near field terms are included. For a wing in forward motion, if the observer is in the moving reference frame, then the correlation function of the near and far field noise can be related to a space-time cross-correlation function of the pressure on the wing surface. A similar result holds for a propeller in forward flight if the observer is in a reference frame that is attached to the propeller and rotates at the shaft speed. For a jet in motion, it is shown that the correlation function of the radiated noise can be related to the space-time crosscorrelation of the Lighthill stress tensor in the jet. Exact analytical results are derived for all three cases. For the cases under present consideration, the inclusion of the near field terms does not introduce additional complexity, as compared to existing formulations that are limited to the far field.

Farassat, F.↗
DOE OSTI2022

ConKer: An algorithm for evaluating correlations of arbitrary order

Context. High order correlations in the cosmic matter density have become increasingly valuable in cosmological analyses. However, computing these correlation functions is computationally expensive. Aims. We aim to circumvent these challenges by developing a new algorithm called ConKer for estimating correlation functions. Methods. This algorithm performs convolutions of matter distributions with spherical kernels using FFT. Since matter distributions and kernels are defined on a grid, it results in some loss of accuracy in the distance and angle definitions. We study the algorithm setting at which these limitations become critical and suggest ways to minimize them. Results. ConKer is applied to the CMASS sample of the SDSS DR12 galaxy survey and corresponding mock catalogs, and is used to compute the correlation functions up to correlation order n = 5. We compare the n = 2 and n = 3 cases to traditional algorithms to verify the accuracy of the new algorithm. We perform a timing study of the algorithm and find that three of the four distinct processes within the algorithm are nearly independent of the catalog size N , while one subdominant component scales as O ( N ). The dominant portion of the calculation has complexity of O ( N c 4/3 log N c ), where N c is the of cells in a three-dimensional grid corresponding to the matter density. Conclusions. We find ConKer to be a fast and accurate method of probing high order correlations in the cosmic matter density, then discuss its application to upcoming surveys of large-scale structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Primordial non-Gaussianities with weak lensing: information on non-linear scales in the Ulagam full-sky simulations

Abstract Primordial non-Gaussianities (PNGs) are signatures in the density field that encode particle physics processes from the inflationary epoch. Such signatures have been extensively studied using the Cosmic Microwave Background, through constraining their amplitudes,f X NL , with future improvements expected from large-scale structure surveys; specifically, the galaxy correlation functions. We show that weak lensing fields can be used to achieve competitive and complementary constraints. This is shown via theUlagamsuite of N-body simulations, a subset of which evolves primordial fields with four types of PNGs. We create full-sky lensing maps and estimate the Fisher information from three summary statistics measured on the maps: the moments, the cumulative distribution function, and the 3-point correlation function. We find that the year 10 sample from the Rubin Observatory Legacy Survey of Space and Time (LSST) can constrain PNGs toσ(f NL eq ) ≈ 110,σ(f NL or, lss ) ≈ 120,σ(f NL loc ) ≈ 40. For the former two, this is better than or comparable to expected galaxy clustering-based constraints from the Dark Energy Spectroscopic Instrument (DESI). The PNG information in lensing fields is on non-linear scales and at low redshifts (z≲ 1.25), with a clear origin in the evolution history of massive halos. The constraining power degrades by ∼60% under scale cuts of ≳ 20 Mpc, showing there is still significant information on scales mostly insensitive to small-scale systematic effects (e.g., baryons). We publicly release theUlagamsuite to enable more survey-focused analyses.

Astronomy & Astrophysics↗