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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Nanofiber-Based Total Internal Reflection Microscopy for Characterizing Colloidal Systems at the Microscale

Bulk colloidal interactions are dictated by the physical properties of individual particles dispersed in solution. However, for many applications it remains challenging to predict system-level colloidal behavior. Comprehensive characterization typically requires disparate techniques that can observe correlations between microscale particle–surface interactions and physical properties of the particles. In this work, we present a unique tin dioxide (SnO2) nanofiber-based total internal reflection microscopy (TIRM) method to efficiently characterize colloidal behavior as a function of particle-level properties in complex fluidic conditions. We develop and model the device physics to understand the physical underpinnings of the raw device data and then use these models to design proof-of-concept experiments to verify device function. Statistical trends in the data collected from a nominal system of 80 nm gold nanoparticles correspond to theoretical predictions as we vary key design parameters such as particle size, surface charge, and solution ionic strength. Lastly, we consider the practical limitations of the technique gleaned from our studies and offer suggestions for utilizing the platform to quantitatively analyze nonideal colloidal systems with distributed or heterogeneous system parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Core-core and core-valence correlation energy atomic and molecular benchmarks for Li through Ar

We have established benchmark core-core, core-valence, and valence-valence absolute coupled-cluster single double (triple) correlation energies (±0.1%) for 210 species covering the first- and second-rows of the periodic table. These species provide 194 energy differences (±0.03 mE{sub h}) including ionization potentials, electron affinities, and total atomization energies. These results can be used for calibration of less expensive methodologies for practical routine determination of core-core and core-valence correlation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Meteorological adjustment of yearly mean values for air pollutant concentration comparison

Using multiple linear regression analysis, models which estimate mean concentrations of Total Suspended Particulate (TSP), sulfur dioxide, and nitrogen dioxide as a function of several meteorologic variables, two rough economic indicators, and a simple trend in time are studied. Meteorologic data were obtained and do not include inversion heights. The goodness of fit of the estimated models is partially reflected by the squared coefficient of multiple correlation which indicates that, at the various sampling stations, the models accounted for about 23 to 47 percent of the total variance of the observed TSP concentrations. If the resulting model equations are used in place of simple overall means of the observed concentrations, there is about a 20 percent improvement in either: (1) predicting mean concentrations for specified meteorological conditions; or (2) adjusting successive yearly averages to allow for comparisons devoid of meteorological effects. An application to source identification is presented using regression coefficients of wind velocity predictor variables.

Sidik, S. M.↗
NASA NTRS1990

Total-sky and clear-sky variability of outgoing longwave radiation and shortwave radiation and its relation to cloud fluctuation statistics

Correlation statistics are used to investigate some of the characteristic temporal and spatial scales of the day-to-day changes in cloudiness which tend to dominate the variance of outgoing LW radiation and SW radiation fields. The temporal decorrelation time of the radiation field as measured by the lag time required for the autocorrelation of a region to fall to 0.4 is about 12 hours in the midlatitude storm track. Decorrelation time approaches one to two days when the averaging area of the region is increased significantly. Decorrelation times are also longer in the equatorial and tropical regions. The short decorrelation times are a manifestation of the creation, breakup, and movement of cloud systems. Cross-correlation analysis of the radiation field in the midlatitude storm track region and the subtropical dry zone shows advection speeds that range from about 25 m/sec in the storm tracks to about 8 m/sec in the subtropical dry zone.

Bess, T. D.↗
DOE OSTI2016

WE-FG-207B-05: Iterative Reconstruction Via Prior Image Constrained Total Generalized Variation for Spectral CT

Purpose: To investigate iterative reconstruction via prior image constrained total generalized variation (PICTGV) for spectral computed tomography (CT) using fewer projections while achieving greater image quality. Methods: The proposed PICTGV method is formulated as an optimization problem, which balances the data fidelity and prior image constrained total generalized variation of reconstructed images in one framework. The PICTGV method is based on structure correlations among images in the energy domain and high-quality images to guide the reconstruction of energy-specific images. In PICTGV method, the high-quality image is reconstructed from all detector-collected X-ray signals and is referred as the broad-spectrum image. Distinct from the existing reconstruction methods applied on the images with first order derivative, the higher order derivative of the images is incorporated into the PICTGV method. An alternating optimization algorithm is used to minimize the PICTGV objective function. We evaluate the performance of PICTGV on noise and artifacts suppressing using phantom studies and compare the method with the conventional filtered back-projection method as well as TGV based method without prior image. Results: On the digital phantom, the proposed method outperforms the existing TGV method in terms of the noise reduction, artifacts suppression, and edge detail preservation. Compared to that obtained by the TGV based method without prior image, the relative root mean square error in the images reconstructed by the proposed method is reduced by over 20%. Conclusion: The authors propose an iterative reconstruction via prior image constrained total generalize variation for spectral CT. Also, we have developed an alternating optimization algorithm and numerically demonstrated the merits of our approach. Results show that the proposed PICTGV method outperforms the TGV method for spectral CT.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1976

Effects of surface temperature and Reynolds number on heat transfer to the Shuttle Orbiter leeward fuselage

Heat-transfer data obtained at hypersonic shock tunnel conditions and three-dimensional flow field computations were used to study the influence of surface temperature and Reynolds number on the heating experienced by the leeward fuselage area of the Space Shuttle Orbiter configuration. The basic results of this study indicate that systematic variations in the average total enthalpy within a boundary layer (as obtained through controlled nonadiabatic processes) has an influence on the heat transfer to downstream areas which can be correlated; even in three-dimensional separated flow areas. Specifically, the average separated-flow Stanton number for the fuselage leeward surface is shown to be moderately dependent on the windward-wall to free-stream total temperature ratio.

Bertin, J. J.↗
NASA NTRS2000

Bioelectrical impedance analysis. What does it measure?

Bioelectrical impedance analysis (BIA) has been proposed for measuring fat-free mass, total body water, percent fat, body cell mass, intracellular water, and extracellular water: a veritable laboratory in a box. Although it is unlikely that BIA is quite this versatile, correlations have been demonstrated between BIA and all of these body compartments. At the same time, it is known that all of the compartments are correlated among themselves. Because of this, it is difficult to determine whether BIA is specific for any or all of these compartments. To investigate this question, we induced acute changes in total body water and its compartments over a 3-h period. Using this approach, we demonstrated that multifrequency BIA, using the Cole-Cole model to calculate the zero frequency and infinite frequency resistance, measures extracellular and intracellular water.

NASA Discipline Regulatory Physiology↗
DOE OSTI2017

Drivers of nitrogen transfer in stream food webs across continents

Studies of trophic-level material and energy transfers are central to ecology. The use of isotopic tracers has now made it possible to measure trophic transfer efficiencies of important nutrients and to better understand how these materials move through food webs. We analyzed data from thirteen 15 N-ammonium tracer addition experiments to quantify N transfer from basal resources to animals in headwater streams with varying physical, chemical, and biological features. N transfer efficiencies from primary uptake compartments (PUCs; heterotrophic microorganisms and primary producers) to primary consumers was lower (mean: 11.5%, range: <1%-43%) than N transfer efficiencies from primary consumers to predators (mean: 80%, range: 5%- >100%). Total N transferred (as a rate) was greater in streams with open compared to closed canopies and overall N transfer efficiency generally followed a similar pattern, although was not statistically significant. We used principal component analysis to condense a suite of site characteristics into two environmental components. Total N uptake rates among trophic levels were best predicted by the component that was correlated with latitude, DIN:SRP, GPP:ER, and % canopy cover. N transfer efficiency did not respond consistently to environmental variables. Here, our results suggest that canopy cover influences N movement through stream food webs because light availability and primary production facilitate N transfer to higher trophic levels.

15N↗
DOE OSTI2018

Fingerprinting groundwater salinity sources in the Gulf Coast Aquifer System, USA

Understanding groundwater salinity sources in the Gulf Coast Aquifer System (GCAS) is a critical issue due to depletion of fresh groundwater and concerns for potential seawater intrusion. The study objective was to assess sources of groundwater salinity in the GCAS using ∼1,400 chemical analyses and ∼90 isotopic analyses along nine well transects in the Texas Gulf Coast, USA. Salinity increases from northeast (median total dissolved solids (TDS) 340 mg/L) to southwest (median TDS 1,160 mg/L), which inversely correlates with the precipitation distribution pattern (1,370– 600 mm/yr, respectively). Molar Cl/Br ratios (median 540–600), depleted δ{sup 2}H and δ{sup 18}O (−24.7‰, −4.5‰) relative to seawater (Cl/Br ∼655 and δ{sup 2}H, δ{sup 18}O 0‰, 0‰, respectively), and elevated {sup 36}Cl/Cl ratios (∼100), suggest precipitation enriched with marine aerosols as the dominant salinity source. Mass balance estimates suggest that marine aerosols could adequately explain salt loading over the large expanse of the GCAS. Evapotranspiration enrichment to the southwest is supported by elevated chloride concentrations in soil profiles and higher δ{sup 18}O. Secondary salinity sources include dissolution of salt domes or upwelling brines from geopressured zones along growth faults, mainly near the coast in the northeast. The regional extent and large quantities of brackish water have the potential to support moderate-sized desalination plants in this location. These results have important implications for groundwater management, suggesting a current lack of regional seawater intrusion and a suitable source of relatively low TDS water for desalination.

58 GEOSCIENCES↗
DOE OSTI2014

Lower susceptibility of female mice to acetaminophen hepatotoxicity: Role of mitochondrial glutathione, oxidant stress and c-jun N-terminal kinase

Acetaminophen (APAP) overdose causes severe hepatotoxicity in animals and humans. However, the mechanisms underlying the gender differences in susceptibility to APAP overdose in mice have not been clarified. In our study, APAP (300 mg/kg) caused severe liver injury in male mice but 69–77% lower injury in females. No gender difference in metabolic activation of APAP was found. Hepatic glutathione (GSH) was rapidly depleted in both genders, while GSH recovery in female mice was 2.6 fold higher in the mitochondria at 4 h, and 2.5 and 3.3 fold higher in the total liver at 4 h and 6 h, respectively. This faster recovery of GSH, which correlated with greater induction of glutamate-cysteine ligase, attenuated mitochondrial oxidative stress in female mice, as suggested by a lower GSSG/GSH ratio at 6 h (3.8% in males vs. 1.4% in females) and minimal centrilobular nitrotyrosine staining. While c-jun N-terminal kinase (JNK) activation was similar at 2 and 4 h post-APAP, it was 3.1 fold lower at 6 h in female mice. However, female mice were still protected by the JNK inhibitor SP600125. 17β-Estradiol pretreatment moderately decreased liver injury and oxidative stress in male mice without affecting GSH recovery. Conclusion: The lower susceptibility of female mice is achieved by the improved detoxification of reactive oxygen due to accelerated recovery of mitochondrial GSH levels, which attenuates late JNK activation and liver injury. However, even the reduced injury in female mice was still dependent on JNK. While 17β-estradiol partially protects male mice, it does not affect hepatic GSH recovery. - Highlights: • Female mice are less susceptible to acetaminophen overdose than males. • GSH depletion and protein adduct formation are similar in both genders. • Recovery of hepatic GSH levels is faster in females and correlates with Gclc. • Reduced oxidant stress in females leads to reduced JNK activation. • JNK activation and mitochondrial translocation are critical in females.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Stochastic Formulation of the Resolution of Identity: Application to Second Order Møller–Plesset Perturbation Theory

A stochastic orbital approach to the resolution of identity (RI) approximation for 4-index electron repulsion integrals (ERIs) is presented. The stochastic RI-ERIs are then applied to second order Møller–Plesset perturbation theory (MP2) utilizing a multiple stochastic orbital approach. The introduction of multiple stochastic orbitals results in an O(N AO 3 ) scaling for both the stochastic RI-ERIs and stochastic RI-MP2, NAO being the number of basis functions. For a range of water clusters we demonstrate that this method exhibits a small prefactor and observed scalings of O(N e 2.4 ) for total energies and O(N e 3.1 ) for forces (N e being the number of correlated electrons), outperforming MP2 for clusters with as few as 21 water molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Effect of Solvent Quality and Monomer Water Solubility on Soft Nanoparticle Morphology

Previous investigations have identified the correlation between synthetic conditions and soft nanoparticle morphology, including their molecular weight, internal crosslinked structure, total nanoparticle radius, and topology, or degree of “fuzziness” of each nanoparticle. To provide further insight to these guidelines, we examine the effect of surfactant concentration and monomer water solubility on the topology, size, and polydispersity of soft poly(butyl acrylate) nanoparticles. Small-angle neutron scattering studies confirm that increased monomer water solubility and polymer chain flexibility decreases the control of nanoparticle topology and size in a nano-emulsion polymerization. Further studies document the morphological change of polystyrene soft nanoparticles with a decrease in solvent quality. Small-angle neutron scattering was also used to characterize dilute solutions of soft polystyrene nanoparticles in a good and theta solvent, including the analysis of their internal structure. When the soft nanoparticles are dispersed in a thermodynamically good solvent they exhibit a swollen morphology, however, when dispersed in a theta solvent, the nanoparticle core contracts due to unfavorable thermodynamic interactions. Moreover, the structure of soft nanoparticles in a theta solvent provides insight that will guide the interpretation of the behavior of soft nanoparticles dispersed into a bulk polymer matrix.

Martin, Halie J.↗
DOE OSTI2014

Multi-level coupled cluster theory

We present a general formalism where different levels of coupled cluster theory can be applied to different parts of the molecular system. The system is partitioned into subsystems by Cholesky decomposition of the one-electron Hartree-Fock density matrix. In this way the system can be divided across chemical bonds without discontinuities arising. The coupled cluster wave function is defined in terms of cluster operators for each part and these are determined from a set of coupled equations. The total wave function fulfills the Pauli-principle across all borders and levels of electron correlation. We develop the associated response theory for this multi-level coupled cluster theory and present proof of principle applications. The formalism is an essential tool in order to obtain size-intensive complexity in the calculation of local molecular properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Global biogeography of microbial nitrogen-cycling traits in soil

Microorganisms drive much of the Earth’s nitrogen (N) cycle, but we still lack a global overview of the abundance and composition of the microorganisms carrying out soil N processes. To address this gap, we characterized the biogeography of microbial N traits, defined as eight N-cycling pathways, using publically available soil metagenomes. The relative frequency of N pathways varied consistently across soils, such that the frequencies of the individual N pathways were positively correlated across the soil samples. Habitat type, soil carbon, and soil N largely explained the total N pathway frequency in a sample. In contrast, we could not identify major drivers of the taxonomic composition of the N functional groups. Further, the dominant genera encoding a pathway were generally similar among habitat types. The soil samples also revealed an unexpectedly high frequency of bacteria carrying the pathways required for dissimilatory nitrate reduction to ammonium, a little-studied N process in soil. Finally, phylogenetic analysis showed that some microbial groups seem to be N-cycling specialists or generalists. For instance, taxa within the Deltaproteobacteria encoded all eight N pathways, whereas those within the Cyanobacteria primarily encoded three pathways. Overall, this trait-based approach provides a baseline for investigating the relationship between microbial diversity and N cycling across global soils.

Nelson, Michaeline B.↗
DOE OSTI2022

Deep uGMRT observations of the ELAIS-North 1 field: statistical properties of radio–infrared relations up to z ∼ 2

ABSTRACT Comprehending the radio–infrared (IR) relations of the faint extragalactic radio sources is important for using radio emission as a tracer of star formation in high redshift (z) star-forming galaxies (SFGs). Using deep uGMRT observations of the ELAIS-N1 field in the 0.3–0.5 GHz range, we study the statistical properties of the radio–IR relations and the variation of the ‘q-parameter’ up to z = 2 after broadly classifying the faint sources as SFGs and AGN. We find the dust temperature (Tdust) to increase with z. This gives rise to $q_{\rm 24\,\mu m}$, measured at $24\, \mu$m, to increase with z as the peak of IR emission shifts towards shorter wavelengths, resulting in the largest scatter among different measures of q-parameters. $q_{\rm 70\,\mu m}$ measured at $70\, \mu$m, and qTIR using total-IR (TIR) emission are largely unaffected by Tdust. We observe strong, non-linear correlations between the radio luminosities at 0.4 and 1.4 GHz with $70\, \mu$m luminosity and TIR luminosity(LTIR). To assess the possible role of the radio-continuum spectrum in making the relations non-linear, for the first time we study them at high z using integrated radio luminosity (LRC) in the range 0.1–2 GHz. In SFGs, the LRC–LTIR relation remains non-linear with a slope of 1.07 ± 0.02, has a factor of 2 lower scatter compared to monochromatic radio luminosities, and $q^{\rm RC}_{\rm TIR}$ decreases with z as $q^{\rm RC}_{\rm TIR}= (2.27 \pm 0.03)\, (1+z)^{-0.12 \pm 0.03}$. A redshift variation of q is a natural consequence of non-linearity. We suggest that a redshift evolution of magnetic field strengths and/or cosmic ray acceleration efficiency in high-z SFGs could give rise to non-linear radio–IR relations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Efficient method for estimating the time evolution of the proto-neutron star mass and radius from a supernova neutrino signal

In this paper, we present a novel method to estimate the time evolution of the proto-neutron star (PNS) structure from the neutrino signal in a core-collapse supernova (CCSN). Employing recent results from multidimensional CCSN simulations, we delve into a relation between the total emitted neutrino energy (TONE) and PNS mass/radius, and we find that they are strongly correlated with each other. We fit the relation by simple polynomial functions connecting the TONE to the mass and radius of the PNS as a function of time. By combining another fitting function representing the correlation between the TONE and the cumulative number of events at each neutrino observatory, the PNS mass and radius can be retrieved from purely observed neutrino data. We demonstrate retrievals of PNS mass and radius from mock data of the neutrino signal, and we assess the capability of our proposed method. While underlining the limitations of the method, we also discuss the importance of the joint analysis with the gravitational wave signal. This would reduce uncertainties of parameter estimations in our method, and may narrow down the possible neutrino oscillation model. The proposed method is a very easy and inexpensive computation, which will be useful in real data analysis of the CCSN neutrino signal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Properties of the 256 Db decay chain

Experiments were performed at Lawrence Berkeley National Laboratory's 88-Inch Cyclotron Facility to study the decays of neutron-deficient dubnium isotopes. These isotopes were produced in the 206 Pb( 51 V, xn) 255,256 Db reaction, and excitation functions were measured. This article reports on the observed properties of the 256 Db decay chain. The produced 256 Db nuclei were separated from unreacted-beam material and reaction byproducts with the Berkeley Gas-filled Separator (BGS) before being implanted into a double-sided silicon strip detector at the BGS focal plane. Decay properties of 256 Db and its daughters were then extracted from the analysis of correlations between implanted Db nuclei with α decay chains and spontaneous fission (SF) events. In total, 86 decay chains and 38 SF events were observed, giving increased statistics as compared to previous studies. In conclusion, improved decay data are presented for 256 Db and its daughter isotopes 252 Lr, 252 No, 248 Md, 248 Fm, 244 Es, and 244 Cf.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗