Engineering Papers⌕ Search

SEARCH · Engineering Papers

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

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.↗
DOE OSTI2026

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↗
DOE OSTI2026

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↗
NASA NTRS2011

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.↗
NASA NTRS1992

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.↗
DOE OSTI2021

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↗
DOE OSTI2019

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↗
DOE OSTI2018

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↗
NASA NTRS1986

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.↗
NASA NTRS1982

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.↗
DOE OSTI2018

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↗
NASA NTRS1973

Noise comparisons from full-scale fan tests at NASA Lewis Research Center

The overall aero and acoutic design features of eight 6-foot-diameter, single stage fans tested in an outdoor acoustic facility are described. A correlation of the acoustic results for subsonic tip-speed fans showed the total sound power was proportional to the mechanical power imparted to the fan and the specific work performed on the air to within + or - 2 dB. The correlation was relatively insensitive to fan design variables over a broad range of operating conditions. Maximum perceived noise levels were generally proportional to the sound power levels with both noise levels exhibiting a relatively unique increase with fan pressure ratio when normalized by the delivered thrust.

Heidmann, M. F.↗
DOE OSTI2018

Sensible-Enthalpy-Based Conditional Moment Closure Model for Homogeneous Charge Compression Ignition with Temperature Inhomogeneity

Abstract This paper presents a sensible-enthalpy-based conditional moment closure (CMC) model for homogeneous charge compression ignition (HCCI) with temperature inhomogeneity. The focus of study is placed on the effects of a conditioning variable on the prediction of heat release rates and developing the mixing models for sensible enthalpy, a reacting scalar. The sensible-enthalpy-based CMC model is validated a priori with 2-D direct numerical simulation (DNS) data for HCCI, and compared with the total-enthalpy-based formulation. Sensible enthalpy is shown to be strongly correlated with temperature, which makes sensible enthalpy well suited for a conditioning variable in CMC for HCCI. Results show that sensible-enthalpy-based CMC performs well for the prediction of heat release rates for all temperature stratification levels investigated in this study, while total-enthalpy-based CMC leads to the overprediction of heat release rates when the temperature stratification level is high. While conditional fluctuations of species mass fractions are substantial, sensible-enthalpy-based CMC is found to accurately estimate heat release rates during ignition, as well as reaction rates of key species, due to substantially suppressed conditional temperature fluctuations. The mapping closure models for the probability density function (PDF) and conditional dissipation rates of sensible enthalpy are proposed. The proposed models are found to capture the characteristics of reactive scalar mixing.

42 ENGINEERING↗
DOE OSTI2025

Role of magnetic and structural symmetry breaking in forming the Mott insulating gap in Nb 3 ⁢Cl 8

The α-phase of the gapped insulator Nb 3 Cl 8 has recently emerged as the long-sought critical testing bed for examining the importance of strong interelectronic correlation vs symmetry breaking in understanding insulation of such Mott compounds. Structural symmetry breaking detected by density functional theory (DFT) energy lowering (such as dimer formation, disproportionation, or Jahn-Teller distortions) explains insulation in both d-electron Mott-like systems and in non-d-electron cases without recourse to strong correlation. Yet, in Nb 3 Cl 8 , structural symmetry breaking alone (viz. formation of Nb trimers) fails to explain insulation, leading instead to a partially occupied metallic flat band, in contrast with experimental observations. We examine the role of magnetic symmetry breaking, noting that Nb 3 Cl 8 is an observed paramagnet (not an antiferromagnet), thus potentially carrying also short-range ordered magnetic moments. Describing the latter as a polymorphous distribution of nonzero local moments with total zero net magnetization is demonstrated to lower the DFT total energy, while gapping the system without recourse to strong correlation or long-range magnetic order. This suggests that degeneracy removal by symmetry breaking in mean-field-like approaches—either structural, or magnetic, or both—can reduce or eliminate the need for strong correlation, allowing the use of DFT for such Mott systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Nonlinear viscoelastic response of silicone additively manufactured direct ink write (DIW) foams under repetitive compression

To investigate dynamic fatigue behavior of foam in military protective applications, such as helmets, additively manufactured (AM) foams were compressively strained into the plateau region using a reduced design of experiments. A simple power law was found to govern the decline in dynamic stiffness (complex modulus) as the foams underwent the purchase order requirement of 10,000 cycles of small deformation in the plateau region. This rate of decline was newly found to correlate with the degree of nonlinearity in the material’s deformation, quantified using total harmonic distortion. Materials with low nonlinearity exhibited relatively stable stiffness across cycles, while those with high nonlinearity experienced greater losses. The observed nonlinearity depended on both applied stress and strain rate. A strong linear correlation (R 2 = 0.78) was identified between second-order nonlinearity and the time-dependent stiffness response. Two lattice structures were examined: face-centered tetragonal (FCT) and simple cubic (SC). The SC material exhibited higher total harmonic distortion (5%) and lower stiffness retention than the FCT (2%). In conclusion, these results suggest that for cyclic compression applications in a wide variety of industries such as packaging, personal protective equipment, or aerospace, selecting materials with lower stress and greater structural uniformity can enhance the stability of dynamic performance.

42 ENGINEERING↗
DOE OSTI2020

A benchmark of Gutzwiller conjugate gradient minimization method in ground state energy calculations of dimers

Herein we present numerical results of ground-state energies of 9 molecules in the well-established G2 molecule set given by the Gutzwiller conjugate gradient minimization (GCGM) method. The method, beyond the commonly used Gutzwiller approximation, was recently developed based on Gutzwiller variational wave functions. We find that compared to benchmark data given by full configuration interaction, GCGM total energies are reasonably well reproduced with the minimum basis set. To include the dynamical correlation beyond the minimal basis calculations, we adopt the local density approximation for the dynamical correlation energy $E_c$. By comparing the results with benchmark data given by experiments and large-basis configuration interaction, the GCGM total energies with $E_c$ are in general better reproduced, but discrepancies are still observed for some dimers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Direct measurement of surface carbon concentrations for lunar soil breccias

A nuclear reaction depth profiling technique previously described by Filleux et al. (1977) has been used to measure the depth distribution of C on grain surfaces for Apollo 11, 15, 16 and 17 soil breccias. The surface C concentration of all samples studied lies between 2 and 8 times 10 to the 15th atoms per sq cm, showing no correlation with the volume C, which varies over an order of magnitude. If the observed variation represents the presence of unexposed grains on the surfaces studied, these results indicate a steady state surface C concentration of 5 to 10 times 10 to the 15th atoms per sq cm, accumulated over a time scale short compared with that required for the formation of volume-related C and with the mean lifetime of grains at the lunar surface. About one-third to one-half of the total C in lunar soil seems to be surface-correlated.

Filleux, C.↗
DOE OSTI2018

Analysis of Microstructure and Sliding Wear Behavior of Co{sub 1.5}CrFeNi{sub 1.5}Ti{sub 0.5} High-Entropy Alloy

Α Co{sub 1.5}CrFeNi{sub 1.5}Ti{sub 0.5} high-entropy alloy (HEA) of the well-known family of CoCrFeNiTi has been designed using empirical parameters. The aim of this design was the production of a HEA with fcc structure that gives ductile behavior and also high strength because of the solid solution effect. The VEC calculations (8.1) supported the fcc structure while the δ factor calculations (4.97) not being out of the limit values, advised a significant lattice distortion. From the other hand, the ΔΗ{sub mix} calculations (− 9.64 kJ/mol) gave strong indications that no intermetallic would be formed. In order to investigate its potential application, the Co{sub 1.5}CrFeNi{sub 1.5}Ti{sub 0.5} HEA was prepared by vacuum arc melting and a primary assessment of its surface degradation response was conducted by means of sliding wear testing using different counterbody systems for a total sliding distance of 1000 m. An effort to correlate the alloy’s wear response with the microstructural characteristics was attempted. Finally, the wear behavior of the Co{sub 1.5}CrFeNi{sub 1.5}Ti{sub 0.5} HEA was compared with that of two commercially used wear-resistant alloys. The results obtained provided some first signs of the high-entropy alloys’ better wear performance when tested under sliding conditions against a steel ball.

36 MATERIALS SCIENCE↗