Search NASA⌕ Search

SEARCH · Search NASA

Results for “total correlation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 631 records · Page 35

Nondestructive Evaluation of Concrete: Elastic Property Imaging Through Full-Waveform Inversion

Concrete is a vital material in construction—especially in the nuclear industry, where it is used in critical structures such as containment vessels. Over time, concrete can degrade due to harsh operational and environmental conditions, necessitating that its elastic properties be accurately evaluated to ensure structural integrity and safety. Traditional nondestructive evaluation methods such as ultrasound-based techniques often rely on simplifying assumptions that may not hold true for concrete. This paper presents an advanced ultrasound-based method that uses elastic full-waveform inversion (EFWI) to create detailed images of concrete’s mechanical properties. By accurately modeling wave behaviors such as scattering and reflection, we aim to overcome the limitations of conventional ultrasonic-based methods. In this work, the imaging problem involved reconstructing the various elastic properties of a heterogenous concrete block with three steel rebars embedded in it. The ultrasonic measurements were synthetically generated from multiple sources and receivers, and the reconstruction process was performed using a gradient-based optimization algorithm. Our approach leveraged EFWI to reconstruct high-resolution images of the pressure wave speed, shear wave speed, and density. Multiple misfit functions—including L2-norm, cross-correlation (CC), and L1-norm—combined with total variation (TV) regularization and parameter constraints using a Sigmoid function—were explored for the reconstruction. The results demonstrated that using the L1-norm misfit function in conjunction with TV regularization and Sigmoid constraints significantly improved the reconstruction quality in comparison to traditional methods. This approach provided clearer images with fewer artifacts and better captured background heterogeneity. Our findings highlight that, when properly designed, EFWI carries great potential for providing comprehensive, more accurate, and more reliable assessments of concrete conditions, as is crucial for the maintenance and safety of nuclear power plant structures.

97 - MATHEMATICS AND COMPUTING↗

Orientational analysis of atomic pair correlations in nanocrystalline indium oxide thin films

The application of grazing-incidence total X-ray scattering (GITXS) for pair distribution function (PDF) analysis using >50 keV X-rays from synchrotron light sources has created new opportunities for structural characterization of supported thin films with high resolution. Compared with grazing-incidence wide-angle X-ray scattering, which is only useful for highly ordered materials, GITXS/PDFs expand such analysis to largely disordered or nanostructured materials by examining the atomic pair correlations dependent on the direction relative to the surface of the supporting substrate. A characterization of nanocrystalline In 2 O 3 -derived thin films is presented here with in-plane-isotropic and out-of-plane-anisotropic orientational ordering of the atomic structure, each synthesized using different techniques. The atomic orientations of such films are known to vary based on the synthetic conditions. Here, an azimuthal orientational analysis of these films using GITXS with a single incident angle is shown to resolve the markedly different orientations of the atomic structures with respect to the planar support and the different degrees of long-range order, and hence, the terminal surface chemistries. It is anticipated that orientational analysis of GITXS/PDF data will offer opportunities to extend structural analyses of thin films by providing a means to qualitatively determine the major atomic orientation within nanocrystalline and, eventually, non-crystalline films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Odor intensity and characterization of jet exhaust and chemical analytical measurements

Odor and chemical analyses were carried out on the exhaust samples from a J-57 combustor can operated over a range of inlet conditions, and with several fuel types and nozzle modifications. The odor characteristics and total intensity of odor for each exhaust were determined over a range of dilutions to allow for a least squares determination of the intensity at 1,000 to 1 dilutions. Analytical measures included the concentration of total hydrocarbons and the concentrations of aromatic organic species and oxygenated organic species from collected samples which were taken concurrently. A correlation was found between the concentration of the odorous oxygenated fraction and the total intensity of aroma. Inlet operating conditions and nozzle modifications which increase the efficiency of combustion as measured by exhaust gas analyses reduce the odor intensity and the quantity of oxygenates in the exhaust. The type of fuel burned altered the intensity of odor in relation to the quantity of oxygenates produced and, in some instances, changed the odor character.

Kendall, D. A.↗

Sulfur in the Apollo 17 basalts and their source regions

Thirty-two Apollo 17 mare basalts have been analyzed for their total sulfur and metallic iron abundances. Sulfur abundances range from 1580 to 2770 microgram S/g with a median value of 1860 microgram S/g. Metallic iron abundances ranged from 0.033 to 0.21 wt.% Fe, with a mean value of 0.13 wt% Fe. The coarse-grained basalts contain more metallic iron than the fine-grained basalts. The metallic iron and sulfur abundances are not apparently related to the cooling rates of the basalts. A slight negative correlation exists between the concentrations of metallic iron and total sulfur for the Apollo 17 basalts. Sulfur content of the mare basalts increases with increasing degrees of fractionation whereas the metallic iron content decreases. Metallic iron in mare basalts may be ascribed to a variety of processes; at present the dominant process is unknown. The source regions for the Apollo 17 and 11 basalts were saturated with sulfur as compared to the Apollo 12 and 15 low titanium basalts which were not saturated.

Gibson, E. K., Jr.↗

Tomography of the gamma-ray sky from cross-correlation with DESI DR2 and unWISE galaxies

We study the origin of extragalactic gamma-ray emission observed by Fermi-LAT, using the cross-correlation of the gamma-ray sky with maps of large-scale structure provided by the DESI and unWISE surveys. Tomographic cross-correlation reveals the bias-weighted redshift distributions of gamma-ray sources. We first illustrate this method by cross-correlating detected gamma-ray point sources with large-scale structure. We find a significant cross-correlation and infer a point source redshift distribution broadly consistent with the distribution of identified optical counterparts previously reported in the literature, as well as a similar linear bias ($b \approx 2$) to massive galaxies that host bright active galactic nuclei. We then study the clustering of the Fermi unresolved gamma-ray background (UGRB), both in auto-correlation and in cross-correlation with large-scale structure. We detect the cross-correlation of the UGRB and LSS at $\sim 10σ$ in total, with highly significant detections from both DESI and unWISE. Our measurements suggest that the redshift distribution of the UGRB is broadly consistent with the redshift distribution of detected point sources. Additionally, we find a relatively weak amplitude for the cross-correlation with large-scale structure at z < 2, suggesting a significant fraction of the UGRB does not come from z < 2 large-scale structure. A natural candidate is contamination of from residual Galactic emission, and our best estimate of the contamination level derived from the UGRB auto-spectrum suggests that the mean bias of UGRB sources is indeed quite similar to the bias of detected Fermi point sources. However, we cannot exclude additional emission from gamma-ray sources at high redshift, z > 2, and we suggest that cross-correlation with tracers at z > 2, including CMB lensing, would be the ideal way to determine the fraction of z > 2 emission.

Krolewski, Alex [Waterloo U., Math. Dept.; Waterlo↗

The structure and energetics of Cr(CO)6 and Cr(CO)5

The geometric structure of Cr(CO)6 is optimized at the modified coupled pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD, and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD, and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used. Calculations using larger basis sets reduce the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. In the largest basis set, the total CO binding energy of Cr(CO)6 is estimated to be 140 kcal/mol at the CCSD(T) level of theory, or about 86 percent of the experimental value. The remaining discrepancy between the experimental and theoretical value is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive set (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗

Airborne observations of the infrared emission bands

Earlier airborne studies of the infrared bands between 5 and 8 microns have now been extended to a sample of southern sources selected from the IRAS Low Resolution Spectra (LRS) atlas. The correlation between the strongest bands at 6.2 and 7.7 microns is now based on a total sample of 40 sources and is very strong. A new emission band at 5.2 microns, previously predicted for polycyclic aromatic hydrocarbons (PAHs), is recognized in 27 sources; it too correlates with the dominant 7.7 micron band, showing that the 5.2 micron feature also belongs to the generic spectrum of PAH features at 3.3, 5.6, 6.2, 6.2, 7.7, 8.7, 11.3, and 12.7 microns. Sufficient sources are had now to define the relative strengths of most of these bands in three separate nebular environments: planetaries, H II regions, and reflection nebulae. Significant variations are detected in the generic spectra of PAHs in these different environments which are echoed by variations in the exact wavelength of the strong 7.7 micron peak. The earlier suggestion that, in planetaries, the fraction of total emission observed by IRAS that is carried by the PAH emissions is correlated with nebular gas-phase C/O ratio is supported by the addition of newly-observed southern planetaries, including the unusually carbon-rich (WC10) nebular nuclei. These (WC10) nuclei also exhibit a strong plateau of emission linking the 6.2 and 7.7 micron features.

Cohen, M.↗

HDSense: An efficient method for ranking observable sensitivity

Identifying which observables most effectively constrain model parameters can be computationally prohibitive when considering full likelihoods of many correlated observables. This is especially important for, e.g., hadronization models, where high precision is required to interpret the results of collider experiments. We introduce the High-Dimensional Sensitivity (HDSense) score, a computationally efficient metric for ranking observable sets using only one-dimensional histograms. Derived by profiling over unknown correlations in the Fisher information framework, the score balances total information content against redundancy between observables. We apply HDSense to rank a set observables in terms of their constraining power with respect to five parameters of the Lund string model of hadronization implemented in Pythia using simulated leptonic collider events at the $Z$ pole. Validation against machine-learning--based full-likelihood approximations demonstrates that HDSense successfully identifies near-optimal observable subsets. The framework naturally handles data from multiple experiments with different acceptances and incorporates detector effects. While demonstrated on hadronization models, the methodology applies broadly to generic parameter estimation problems where correlations are unknown or difficult to model.

Assi, Benoît [Cincinnati U.] (ORCID:00000003092433↗

Probing the γ -Ray Emission Origin of Two Star-forming Galaxies NGC 2403 and NGC 3424 with the Fermi-LAT

Star-forming galaxies (SFGs) are a subclass of γ-ray emitters, and a correlation between their γ-ray luminosity (L γ ) and the total infrared (IR) luminosity (L IR ) has been established based on the Fermi Large Area Telescope (LAT) data. NGC 2403 and NGC 3424 have been reported as outliers in the L γ –L IR correlation with light curves showing significant variability, which contrasts with the temporally stable γ-ray emission in other SFGs, originating primarily from cosmic rays interacting with interstellar medium. In this study, we reanalyze the γ-ray emission in the directions of NGC 2403 and NGC 3424 using more than 16.5 yr Fermi-LAT data. NGC 3424 is found to be spatially coincident with the detected γ-ray source, while NGC 2403 is significantly offset from the nearest γ-ray source, suggesting an implausible association. We confirm the previously reported variability of both γ-ray sources and the significant deviation from the L γ –L IR correlation when assuming an association of both γ-ray sources with the two galaxies. Our findings lend further support to the interpretation that their γ-ray emission is driven primarily by alternative radiative processes—rather than by star formation activity—such as the ejecta of the Type IIP supernova SN 2004dj in NGC 2403 interacting with a surrounding high-density shell and an obscured active galactic nucleus in NGC 3424.

Liu, Linjie [Chinese Academy of Sciences (CAS), Ku↗

Urinary Acid Excretion Can Predict Changes in Bone Metabolism During Space Flight

Mitigating space flight-induced bone loss is critical for space exploration, and a dietary countermeasure would be ideal. We present here preliminary data from a study where we examined the role of dietary intake patterns as one factor that can influence bone mineral loss in astronauts during space flight. Crewmembers (n=5) were asked to consume a prescribed diet with either a low (0.3-0.6) or high (1.0-1.3) ratio of animal protein to potassium (APro:K) before and during space flight for 4-d periods. Diets were controlled for energy, total protein, calcium, and sodium. 24-h urine samples were collected on the last day of each of the 4-d controlled diet sessions. 24-h urinary acid excretion, which was predicted by dietary potential renal acid load, was correlated with urinary n-telopeptide (NTX, Pearson R = 0.99 and 0.80 for the high and low APro:K sessions, respectively, p<0.001). The amount of protein when expressed as the percentage of total energy (but not as total grams) was also correlated with urinary NTX (R = 0.66, p<0.01). These results, from healthy individuals in a unique environment, will be important to better understand diet and bone interrelationships during space flight as well as on Earth. The study was funded by the NASA Human Research Program.

Zwart, Sara R.↗

Computational studies of metal-metal and metal-ligand interactions

The geometric structure of Cr(CO)6 is optimized at the modified coupled-pair functional (MCPF), single and double excitation coupled-cluster (CCSD) and CCSD(T) levels of theory (including a perturbational estimate for connected triple excitations), and the force constants for the totally symmetric representation are determined. The geometry of Cr(CO)5 is partially optimized at the MCPF, CCSD and CCSD(T) levels of theory. Comparison with experimental data shows that the CCSD(T) method gives the best results for the structures and force constants, and that remaining errors are probably due to deficiencies in the one-particle basis sets used for CO. A detailed comparison of the properties of free CO is therefore given, at both the MCPF and CCSD/CCSD(T) levels of treatment, using a variety of basis sets. With very large one-particle basis sets, the SSCD(T) method gives excellent results for the bond distance, dipole moment and harmonic frequency of free CO. The total binding energies of Cr(CO)6 and Cr(CO)5 are also determined at the MCPF, CCSD and CCSD(T) levels of theory. The CCSD(T) method gives a much larger total binding energy than either the MCPF or CCSD methods. An analysis of the basis set superposition error (BSSE) at the MCPF level of treatment points out limitations in the one-particle basis used here and in a previous study. Calculations using larger basis sets reduced the BSSE, but the total binding energy of Cr(CO)6 is still significantly smaller than the experimental value, although the first CO bond dissociation energy of Cr(CO)6 is well described. An investigation of 3s3p correlation reveals only a small effect. The remaining discrepancy between the experimental and theoretical total binding energy of Cr(CO)6 is probably due to limitations in the one-particle basis, rather than limitations in the correlation treatment. In particular an additional d function and an f function on each C and O are needed to obtain quantitative results. This is underscored by the fact that even using a very large primitive se (1042 primitive functions contracted to 300 basis functions), the superposition error for the total binding energy of Cr(CO)6 is 22 kcal/mol at the MCPF level of treatment.

Barnes, Leslie A.↗

Comparative Assessment of Data-driven Process Models in Health Information Technology

Process mining for conformance analysis consists of comparing a reference process model against a data-driven process model generated via log files from information technology systems. However, in the absence of a complete reference process model, we found no suggested approaches in the literature to address the need for evaluating process conformance among different healthcare facilities to assess standardization of care. Our goal is to find similarities and dissimilarities in data-driven process models among US Veterans Health Administration (VHA) facilities that can be indicative of patient safety issues. Our hypothesis was that the analysis would not produce statistically significant differences in outcome. We present a unique implementation of conformance analysis in process mining that consists of combining process mining, process mapping and statistical metrics. We illustrate our approach by applying it to the analysis of two clinical radiology order process models generated from healthcare data provided by two similar facilities in the VHA. The comparative assessment showed that about 70% of the orders completed successfully and 30% were not completed due to policy and duplications. Our analysis found a good statistical correlation between both facilities, as the Spearman’s correlation coefficient between facilities for the frequency of cases per total hours was 0.87879, for the frequency of cases by state transition was 0.79702 and for the throughput time per state transition was 0.63582. Additional statistical analyses using the Mann-Whitney U test and the root mean square error both produced values that were not significant. The foregoing approach validated our hypothesis by demonstrating a good statistical correlation of data describing the flow of clinical radiology orders absent a credible reference model. Finding good agreement between both facilities was important in confirming that the clinical orders flow in a similar manner, suggesting standardization of care.

97 MATHEMATICS AND COMPUTING↗

Rhizosphere microbiomes diverge among Populus trichocarpa plant-host genotypes and chemotypes, but it depends on soil origin

Abstract Background Plants have developed defense strategies for phytopathogen and herbivore protection via coordinated metabolic mechanisms. Low-molecular weight metabolites produced within plant tissues, such as salicylic acid, represent one such mechanism which likely mediates plant – microbe interactions above and below ground. Salicylic acid is a ubiquitous phytohormone at low levels in most plants, yet are concentrated defense compounds in Populus , likely acting as a selective filter for rhizosphere microbiomes. We propagated twelve Populus trichocarpa genotypes which varied an order of magnitude in salicylic acid (SA)-related secondary metabolites, in contrasting soils from two different origins. After four months of growth, plant properties (leaf growth, chlorophyll content, and net photosynthetic rate) and plant root metabolomics specifically targeting SA metabolites were measured via GC-MS. In addition, rhizosphere microbiome composition was measured via Illumina MiSeq sequencing of 16S and ITS2 rRNA-genes. Results Soil origin was the primary filter causing divergence in bacterial/archaeal and fungal communities with plant genotype secondarily influential. Both bacterial/archaeal and fungal evenness varied between soil origins and bacterial/archaeal diversity and evenness correlated with at least one SA metabolite (diversity: populin; evenness: total phenolics). The production of individual salicylic acid derivatives that varied by host genotype resulted in compositional differences for bacteria /archaea (tremuloidin) and fungi (salicylic acid) within one soil origin (Clatskanie) whereas soils from Corvallis did not illicit microbial compositional changes due to salicylic acid derivatives. Several dominant bacterial (e.g., Betaproteobacteria, Acidobacteria, Verrucomicrobia, Chloroflexi, Gemmatimonadete, Firmicutes ) and one fungal phyla ( Mortierellomycota ) also correlated with specific SA secondary metabolites; bacterial phyla exhibited more negative interactions (declining abundance with increasing metabolite concentration) than positive interactions. Conclusions These results indicate microbial communities diverge most among soil origin. However, within a soil origin, bacterial/archaeal communities are responsive to plant SA production within greenhouse-based rhizosphere microbiomes. Fungal microbiomes are impacted by root SA-metabolites, but overall to a lesser degree within this experimental context. These results suggest plant defense strategies, such as SA and its secondary metabolites, may partially drive patterns of both bacterial/archaeal and fungal taxa-specific colonization and assembly.

16S rRNA↗

Correlated local dipoles in PbTe

We present a combined single-crystal x-ray diffuse scattering and ab-initio molecular dynamics study of lead telluride, PbTe. Well-known for its thermoelectric and narrow-gap semiconducting properties, PbTe recently achieved further notoriety following the report of an unusual off-centering of the lead atoms, accompanied by a local symmetry breaking, on heating. This observation, which was named emphanisis, ignited considerable controversy regarding the details of the underlying local structure and the appropriate interpretation of the total scattering experiments. In this study, we identify an unusual correlated local dipole formation extending over several unit cells with an associated local reduction of the cubic symmetry in both our x-ray diffuse scattering measurements and our molecular dynamics simulations. Importantly, when averaged spatially or temporally, the most probable positions for the ions are at the centers of their coordination polyhedra. Our results therefore clarify the nature of the local symmetry breaking, and reveal the source of the earlier controversy regarding the existence or absence of off-centering. Finally, we provide an interpretation of the behavior in terms of coupled soft optical and acoustic modes, which is linked also to the high thermoelectric performance of PbTe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spatial characteristics of observed precipitation fields: A catalog of summer storms in Arizona, Volume 1

Eight years of summer raingage observations are analyzed for a dense, 93 gage, network operated by the U. S. Department of Agriculture, Agricultural Research Service, in their 150 sq km Walnut Gulch catchment near Tucson, Arizona. Storms are defined by the total depths collected at each raingage during the noon to noon period for which there was depth recorded at any of the gages. For each of the resulting 428 storms, the 93 gage depths are interpolated onto a dense grid and the resulting random field is anlyzed. Presented are: storm depth isohyets at 2 mm contour intervals, first three moments of point storm depth, spatial correlation function, spatial variance function, and the spatial distribution of total rainstorm depth.

Fennessey, N. M.↗

Experimental investigation of turbulent wall-jets in the presence of adverse pressure gradients in a rectangular diffuser

An experimental study of wall static pressure distributions and mean velocity profiles along a duct and diffuser downstream of wall-jet injection was conducted over a range of diffuser total angles from 15 to 40 deg at injection to core flow mass flux ratios from 0 to 6. Pressure recovery in the diffuser increased with injection ratio and decreased with diffuser total angle. Peak velocities in the wall-jet decayed along the flow and the inner shear layer and outer mixing region grew in thickness along the flow. The inner layer was near similarity condition, but non-similar variations were found in the outer layer. Estimated wall shear stresses depended upon injection mass fluxes, downstream distance and diffuser total angle. Greater decay of peak velocity and larger friction coefficients were found in the diffuser than indicated by correlations from data for a wall-jet without a pressure gradient. At the largest diffuser total angle and the highest injection ratio flow reversal occurred in the core region.

Back, L.↗

Gravity at the horizon: on relativistic effects, CMB-LSS correlations and ultra-large scales in Horndeski's theory

We address the impact of consistent modifications of gravity on the largest observable scales, focusing on relativistic effects in galaxy number counts and the cross-correlation between the matter large scale structure (LSS) distribution and the cosmic microwave background (CMB). Our analysis applies to a very broad class of general scalar-tensor theories encoded in the Horndeski Lagrangian and is fully consistent on linear scales, retaining the full dynamics of the scalar field and not assuming quasi-static evolution. As particular examples we consider self-accelerating Covariant Galileons, Brans-Dicke theory and parameterizations based on the effective field theory of dark energy, using the hi class code to address the impact of these models on relativistic corrections to LSS observables. We find that especially effects which involve integrals along the line of sight (lensing convergence, time delay and the integrated Sachs-Wolfe effect—ISW) can be considerably modified, and even lead to O(1000%) deviations from General Relativity in the case of the ISW effect for Galileon models, for which standard probes such as the growth function only vary by O(10%). These effects become dominant when correlating galaxy number counts at different redshifts and can lead to ∼ 50% deviations in the total signal that might be observable by future LSS surveys. Because of their integrated nature, these deep-redshift cross-correlations are sensitive to modifications of gravity even when probing eras much before dark energy domination. We further isolate the ISW effect using the cross-correlation between LSS and CMB temperature anisotropies and use current data to further constrain Horndeski models. Forthcoming large-volume galaxy surveys using multiple-tracers will search for all these effects, opening a new window to probe gravity and cosmic acceleration at the largest scales available in our universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Density-functional theory for systems with noncollinear spin: Orbital-dependent exchange-correlation functionals and their application to the Hubbard dimer

Here, a class of orbital-dependent exchange-correlation potentials for applications in noncollinear spin-density-functional theory is developed. Starting from the optimized effective potential formalism for the exact exchange potential—generalized to the noncollinear case—correlation effects are added via a self-consistent procedure inspired by the Singwi-Tosi-Land-Sjölander method. The orbital-dependent exchange-correlation potentials are applied to the Hubbard dimer in uniform and noncollinear magnetic fields and compared to exact diagonalization and to the Bethe-ansatz local spin-density approximation. The Singwi-Tosi-Land-Sjölander method gives the overall best performance for total energies, densities, and magnetizations, particularly in the weakly to moderately correlated regime.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗