Search NASA⌕ Search

SEARCH · Search NASA

Results for “specific 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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Inter‐Fullerene Electronic Coupling Controls the Efficiency of Photoinduced Charge Generation in Organic Bulk Heterojunctions

Photoinduced charge generation (PCG) dynamics are notoriously difficult to correlate with specific molecular properties in device relevant polymer:fullerene organic photovoltaic blend films due to the highly complex nature of the solid state blend morphology. Here, this study uses six judiciously selected trifluoromethylfullerenes blended with the prototypical polymer poly(3‐hexylthiophene) and measure the PCG dynamics in 50 fs–500 ns time scales with time‐resolved microwave conductivity and femtosecond transient absorption spectroscopy. The isomeric purity and thorough chemical characterization of the fullerenes used in this study allow for a detailed correlation between molecular properties, driving force, local intermolecular electronic coupling and, ultimately, the efficiency of PCG yield. The findings show that the molecular design of the fullerene not only determines inter‐fullerene electronic coupling, but also influences the decay dynamics of free holes in the donor phase even when the polymer microstructure remains unchanged.

Larson, Bryon W.↗
DOE OSTI2016

Correlation of Thermally Induced Pores with Microstructural Features Using High Energy X-rays

Combined application of a near-field High Energy Diffraction Microscopy measurement of crystal lattice orientation fields and a tomographic measurement of pore distributions in a sintered nickel-based superalloy sample allows pore locations to be correlated with microstructural features. Furthermore, measurements were carried out at the Advanced Photon Source beamline 1-ID using an X-ray energy of 65 keV for each of the measurement modes. The nickel superalloy sample was prepared in such a way as to generate significant thermally induced porosity. A three-dimensionally resolved orientation map is directly overlaid with the tomographically determined pore map through a careful registration procedure. The data are shown to reliably reproduce the expected correlations between specific microstructural features (triple lines and quadruple nodes) and pore positions. With the statistics afforded by the 3D data set, we conclude that within statistical limits, pore formation does not depend on the relative orientations of the grains. The experimental procedures and analysis tools illustrated are being applied to a variety of materials problems in which local heterogeneities can affect materials properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Correlation between the structure, specific resistance, and optical properties of ITO films grown by CVD

By means of chemical vapor deposition (CVD) in a quasi-closed space with the use of a separate vaporizer, indium and tin oxides (ITOs)/glass structures with high conductivity and transparency and a thickness of up to 3 μm are obtained; they are suitable for the manufacture of protective coatings of mirrors with a reflecting facial layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

DUAL-PARTICLE DOSEMETER BASED ON ORGANIC SCINTILLATOR

Abstract Traditionally available handheld dosemeters are generally sensitive to only one type of radiation: neutrons or photons. Some dosemeters also rely on very specific attenuation correlations between response and dose, are not scalable in size and multiple dosemeters are required to characterise mixed-particle fields. The research presented here serves as a proof-of-concept for a method to simultaneously measure dose rates from neutrons and photons using a particle discriminating organic scintillation detector without the need for spectral deconvolution. The method was compared with traditional instruments and to simulation. Isotopic photon dose rates measured with this method were within 4% of simulated truth, whereas fission spectrum neutron dose rates were measured within 21%. Measurements of dose rates from both particles agree with simulated truth better than traditional instruments. This new method allows for measurement of dose equivalent from both neutrons and photons with a single instrument and no reliance on spectral deconvolution.

Miller, C. A.↗
DOE OSTI2020

Electronic Structures and Magnetism of Zr-, Th-, and U-based Metal-Organic Frameworks (MOFs) by Density Functional Theory

Metal-organic frameworks (MOFs) have recently gained wide interest as candidate materials for nuclear waste immobilization. While the fundamental thermodynamic properties, such as the substitution energies determine the favorability of radionuclide sequestration by utilization of a MOF matrix, the studies of MOF electronic structure reveal the role of d-, and/or f-electrons on changes in physical properties of actinide-containing materials. We use density functional theory (DFT) calculations to investigate the electronic structures of Zr-, Th-, and U-MOFs, including their electronic band structures and, where appropriate, their magnetic properties. We employ various DFT methods including DFT+U, collinear spin-polarization, spin-orbit coupling, and different flavors of exchange-correlation functionals to assess the robustness to the specific exchange-correlation functional. Unlike the Zr-, and Th-MOFs, the U-MOF is found to be sensitive to electron localization and spin; hence we explore the magnetic structure of the U-MOF in further detail.

Metal-Organic Framework, MOF, Actinides, DFT↗
DOE OSTI2018

Exposure to traffic-related air pollution and the composition of the gut microbiota in overweight and obese adolescents

Highlights: • Traffic-related air pollution (TRAP) was positively correlated with fasting glucose. • TRAP exposure was correlated with specific gut microbial taxa. • These taxa partially explained the correlation between TRAP and fasting glucose. • TRAP exposure may negatively impact metabolic health via the gut microbiota. Traffic-related air pollution (TRAP) exposure has been linked to type 2 diabetes and metabolic dysfunction in humans. Animal studies suggest that air pollutants may alter the composition of the gut microbiota, which may negatively impact metabolic health through changes in the composition and/or function of the gut microbiome.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Functional diversification of ROK-family transcriptional regulators of sugar catabolism in the Thermotogae phylum

Large and functionally heterogeneous families of transcription factors have complex evolutionary histories. What shapes specificities toward effectors and DNA sites in paralogous regulators is a fundamental question in biology. Bacteria from the deep-branching lineage Thermotogae possess multiple paralogs of the repressor, open reading frame, kinase (ROK) family regulators that are characterized by carbohydrate-sensing domains shared with sugar kinases. We applied an integrated genomic approach to study functions and specificities of regulators from this family. A comparative analysis of 11 Thermotogae genomes revealed novel mechanisms of transcriptional regulation of the sugar utilization networks, DNA-binding motifs and specific functions. Reconstructed regulons for seven groups of ROK regulators were validated by DNA-binding assays using purified recombinant proteins from the model bacterium Thermotoga maritima. All tested regulators demonstrated specific binding to their predicted cognate DNA sites, and this binding was inhibited by specific effectors, mono- or disaccharides from their respective sugar catabolic pathways. By comparing ligand-binding domains of regulators with structurally characterized kinases from the ROK family, we elucidated signature amino acid residues determining sugar-ligand regulator specificity. Observed correlations between signature residues and the sugar-ligand specificities provide the framework for structure functional classification of the entire ROK family.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Setting and stiffening of cementitious components in Cast Stone waste form for disposal of secondary wastes from the Hanford waste treatment and immobilization plant

Cast Stone is a cementitious waste form, a viable option to immobilize secondary nuclear liquid wastes generated from the Hanford Waste Treatment and Immobilization Plant. However, no study has been performed to understand the flow and stiffening behavior, which is essential to ensure proper workability and is important to safety in a nuclear waste field-scale application. X-ray diffraction, rheology, and ultrasonic wave reflection methods were used to understand the specific phase formation and stiffening of Cast Stone. Our results showed a good correlation between rheological properties of the fresh mixture and phase formation in Cast Stone. Secondary gypsum formation was observed with low concentration simulants, and the formation of gypsum was suppressed in high concentration simulants. A threshold concentration for the drastic change in stiffening was found at 1.56 M Na concentration. It was found that the stiffening of Cast Stone was strongly dependent on the concentration of simulant. Highlights: • A combination of XRD, UWR, and rheology gives a better understanding of Cast Stone. • Stiffening of Cast Stone was strongly dependent on the concentration of simulant. • A drastic change in stiffening of Cast Stone was found at 1.56 M Na concentration.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Site specific porosity-thermal performance correlations in neutron irradiated U-10Zr fuel

In this work, we present a site-specific three-dimensional analysis of porosity evolution in neutron-irradiated U–10Zr metallic fuel using high-resolution synchrotron X-ray tomography. Focused ion beam cubic lift-outs from four radial positions—fuel center, middle, edge, and fuel-cladding interaction (FCCI) zones—were imaged, reconstructed, and segmented to quantify pore volume, density, morphology, and pore connectivity. Porosity increased modestly from 5.5% at the center to 10.5% at the edge, yet pore number density increased by over two orders of magnitude in the fuel portion near the FCCI interface (from 4.8 x 10 4 to 6.0 x 10 6 pores/mm 3 ). Morphological classification revealed a progression from small spherical pores at the center to equiaxed and tortuous networks at the periphery, with enhanced orientation along the radial direction. Connectivity and permeability analysis reveal that the FCCI region maintains dense, highly interconnected pores despite a moderate volume fraction, enabling rapid fission gas transport and lanthanide migration. Effective thermal conductivity models incorporating sodium logging confirm that these site-specific pore features critically influenced heat transport during reactor irradiation. These findings demonstrate that pore topology—not just porosity fraction—controls thermal performance and thermal pathways in U–10Zr fuels, impacting fuel thermal performance in a reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Characterizing scintillator detector response for correlated fission experiments with MCNP and associated packages

When multiple neutrons are emitted in a fission event they are correlated in both energy and their relative angle, which may impact the design of safeguards equipment and other instrumentation for non-proliferation applications. The most recent release of MCNP 6 . 2 contains the capability to simulate correlated fission neutrons using the event generators CGMF and FREYA . These radiation transport simulations will be post-processed by the detector response code, DRiFT , and compared directly to correlated fission measurements. DRiFT has been previously compared to single detector measurements, its capabilities have been recently expanded with correlated fission simulations in mind. Finally, this paper details updates to DRiFT specific to correlated fission measurements, including tracking source particle energy of all detector events (and non-events), expanded output formats, and digitizer waveform generation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Fe(II)- and Sulfide-Facilitated Reduction of 99Tc(VII)O4- in Microbially Reduced Hyporheic Zone Sediments

Redox-reactive, biogeochemical phases generated by reductive microbial activity in hyporheic zone sediments from a dynamic groundwater-river interaction zone were evaluated for their ability to reduce soluble pertechnetate [99Tc(VII)O4-] to less soluble Tc(IV). The sediments were bioreduced by indigenous microorganisms that were stimulated by organic substrate addition in synthetic groundwater with or without sulfate. In most treatments, 20 µmol L-1 initial aqueous Tc(VII) was reduced to near or below detection (3.82×10-9 mol L-1) over periods of days to months in suspensions of variable solids concentrations. Native sediments containing significant lithogenic Fe(II) in various phases were, in contrast, unreactive with Tc(VII). The reduction rates in the bioreduced sediments increased with increases in sediment mass, in proportion to weak acid-extractable Fe(II) and sediment-associated sulfide (AVS). The rate of Tc(VII) reduction was first order with respect to both aqueous Tc(VII) concentration and sediment mass, but correlations between specific reductant concentrations and reaction rate were not found. X-ray microprobe measurements revealed a strong correlation between Tc hot spots and Fe-containing mineral particles in the sediment. However, only a portion of Fe-containing particles were Tc-hosts. The Tc-hot spots displayed a chemical signature (by EDXRF) similar to pyroxene. The application of autoradiography and electron microprobe allowed further isolation of Tc-containing particles that were invariably found to be ca 100 µm aggregates of primary mineral material embedded within a fine-grained phyllosilicate matrix. EXAFS spectroscopy revealed that the Tc(IV) within these were a combination of a Tc(IV)O2-like phase and Tc(IV)-Fe surface clusters, with a significant fraction of a TcSx-like phase in sediments incubated with SO42-. AVS was implicated as a more selective reductant at low solids concentration even though its concentration was below that required for stoichiometric reduction of Tc(VII). These results demonstrate that composite mineral aggregates may be redox reaction centers in coarse-textured hyporheic zone sediments regardless of the dominant anoxic biogeochemical processes.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2023

Using electron energy-loss spectroscopy to measure nanoscale electronic and vibrational dynamics in a TEM

Electron energy-loss spectroscopy (EELS) can measure similar information to x-ray, UV–Vis, and IR spectroscopies but with atomic resolution and increased scattering cross-sections. Recent advances in electron monochromators have expanded EELS capabilities from chemical identification to the realms of synchrotron-level core-loss measurements and to low-loss, 10–100 meV excitations, such as phonons, excitons, and valence structures. EELS measurements are easily correlated with electron diffraction and atomic-scale real-space imaging in a transmission electron microscope (TEM) to provide detailed local pictures of quasiparticle and bonding states. This perspective provides an overview of existing high-resolution EELS (HR-EELS) capabilities while also motivating the powerful next step in the field—ultrafast EELS in a TEM. Ultrafast EELS aims to combine atomic-level, element-specific, and correlated temporal measurements to better understand spatially specific excited-state phenomena. Ultrafast EELS measurements also add to the abilities of steady-state HR-EELS by being able to image the electromagnetic field and use electrons to excite photon-forbidden and momentum-specific transitions. We discuss the technical challenges ultrafast HR-EELS currently faces, as well as how integration with in situ and cryo measurements could expand the technique to new systems of interest, especially molecular and biological samples.

Chemistry↗
DOE OSTI2013

THE DUST ATTENUATION LAW IN DISTANT GALAXIES: EVIDENCE FOR VARIATION WITH SPECTRAL TYPE

This Letter utilizes composite spectral energy distributions (SEDs) constructed from NEWFIRM Medium-Band Survey photometry to constrain the dust attenuation curve in 0.5 < z < 2.0 galaxies. Based on similarities between the full SED shapes (0.3-8 μm), we have divided galaxies in 32 different spectral classes and stacked their photometry. As each class contains galaxies over a range in redshift, the resulting rest-frame SEDs are well sampled in wavelength and show various spectral features including Hα and the UV dust bump at 2175 Å. We fit all composite SEDs with flexible stellar population synthesis models, while exploring attenuation curves with varying slopes and UV bump strengths. The Milky Way and Calzetti law provide poor fits at UV wavelengths for nearly all SEDs. Consistent with previous studies, we find that the best-fit attenuation law varies with spectral type. There is a strong correlation between the best-fit dust slope and UV bump strength, with steeper laws having stronger bumps. Moreover, the attenuation curve correlates with specific star formation rate (SFR), with more active galaxies having shallower dust curves and weaker bumps. There is also a weak correlation with inclination. The observed trends can be explained by differences in the dust-to-star geometry, a varying grain size distribution, or a combination of both. Our results have several implications for galaxy evolution studies. First, the assumption of a universal dust model leads to biases in derived galaxy properties. Second, the presence of a dust bump may result in underestimated values for the UV slope, used to correct SFRs of distant galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Ultrasonic synthesis and photocatalytic performance of metal-ions doped TiO{sub 2} catalysts under solar light irradiation

Graphical abstract: Display Omitted Highlights: ► We synthesized eight metal-ions doped TiO{sub 2} catalysts by a unique ultrasonic method. ► Mg-doped TiO{sub 2} showed the highest photocatalytic performance under solar light. ► Surface area of catalyst dominates the photocatalytic efficiency under solar light. ► Crystal property and visible light activity are less important than surface area. -- Abstract: Eight metal-ions doped TiO{sub 2} (M-TiO{sub 2}) were successfully synthesized by an ultrasonic method, including Fe, Co, Ce, Cr, Mn, Mg, Ni and Ag ions. Among them, the 1% Mg–TiO{sub 2} shows the highest photocatalytic efficiency under solar light, which was determined by degrading rhodamine B (RhB) molecules in an aqueous solution. The synthesized M-TiO{sub 2} samples were characterized by XRD, BET Surface area, TEM, XPS and diffuse reflectance spectrum. Effects of synthesis conditions and characterized properties on photocatalytic efficiency of the M-TiO{sub 2} were investigated comprehensively. A positive correlation between specific surface area and photocatalytic efficiency of the M-TiO{sub 2} was found across different synthesis conditions. However, no clear correlation with photocatalytic efficiency was observed for crystal structure and radii of doping ions of the M-TiO{sub 2}. XPS study indicates the change of oxidation states of Mn ions in Mn–TiO{sub 2} during synthesis procedure from the initial Mn{sup 2+} to a mixture of Mn{sup 3+} and Mn{sup 4+} ions. Dye sensitization mechanism was observed during the photocatalytic procedure of the Mg–TiO{sub 2}, which enhanced the degradation efficiency of the Mg–TiO{sub 2} under solar light. Finally, no obvious loss of photocatalytic activity was observed for the Mg–TiO{sub 2} after five cycles of RhB degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Empirical correlations between the function of entropy ( Z S ) and net artificial viscous work in a shock physics hydrocode

Entropy is a state variable that may be obtained from any thermodynamically complete equation of state (EOS). However, hydrocode calculations that output the entropy often contain numerical errors; this is not because of the EOS, but rather the solution techniques that are used in hydrocodes (especially Eulerian) such as convection, remapping, and artificial viscosity. Here, in this work, empirical correlations are investigated to reduce the errors in entropy without altering the solution techniques for the conservation of mass, momentum, and energy. Specifically, these correlations are developed for the function of entropy Z S , and they depend upon the net artificial viscous work, as determined via Sandia National Laboratories’ shock physics hydrocode CTH. These results are a continuation of a prior effort to implement the entropy-based CREST reactive burn model in CTH, and they are presented here to stimulate further interest from the shock physics community. Future work is planned to study higher-dimensional shock waves, shock wave interactions, and possible ties between the empirical correlations and a physical law.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

WZ Sagittae, SN 1054 and SN 1006 space weather

Statement of the Problem: The earth’s atmosphere experience changes that are caused by pollution from debris streams from exploding stars, nova and supernova. The debris streams also cause global warming. Earth’s sensitivity to the energy added to the biosphere is shown by the areas of major sea ice loss through recent years. Methodology & Theoretical Orientation: By knowing the year of arrival of debris streams at planet earth the longitudinal locations of observations of changing sea ice can be correlated to specific debris stream’s termini. The actual termini points are identified for WZ Sagittae, SN 1006 and SN 1054. Findings: Global warming effects have been correlated with the arrival time of nova and supernova explosions through disappearing sea ice over the past nine years. Conclusion & Significance: The current trend for global warming specialist to blame fossil fuels and CO2 for the increase of planetary temperatures may be incorrect and the true source of our current global warming may be due to debris impact streams from nova WZ Sagittae, SN 1054 and SN 1006. The incentive to inhibit the fossil fuel industry could be changed to design a mechanism or system to stop the incoming particle stream from exploding stars to protect living organisms on our planet. The disappearance of sea ice areas that are correlated with the debris streams being studied is proof of the Supernova and Nova Impact Theory (SNIT).

Sokeland, William P.↗
DOE OSTI2014

A CRITICAL LOOK AT THE MASS-METALLICITY-STAR FORMATION RATE RELATION IN THE LOCAL UNIVERSE. I. AN IMPROVED ANALYSIS FRAMEWORK AND CONFOUNDING SYSTEMATICS

It has been proposed that the (stellar) mass-(gas) metallicity relation of galaxies exhibits a secondary dependence on star formation rate (SFR), and that the resulting M {sub *}-Z-SFR relation may be redshift-invariant, i.e., ''fundamental''. However, conflicting results on the character of the SFR dependence, and whether it exists, have been reported. To gain insight into the origins of the conflicting results, we (1) devise a non-parametric, astrophysically motivated analysis framework based on the offset from the star-forming ({sup m}ain{sup )} sequence at a given M {sub *} (relative specific SFR); (2) apply this methodology and perform a comprehensive re-analysis of the local M {sub *}-Z-SFR relation, based on SDSS, GALEX, and WISE data; and (3) study the impact of sample selection and of using different metallicity and SFR indicators. We show that metallicity is anti-correlated with specific SFR regardless of the indicators used. We do not find that the relation is spurious due to correlations arising from biased metallicity measurements or fiber aperture effects. We emphasize that the dependence is weak/absent for massive galaxies (log M {sub *} > 10.5), and that the overall scatter in the M {sub *}-Z-SFR relation does not greatly decrease from the M {sub *}-Z relation. We find that the dependence is stronger for the highest SSFR galaxies above the star-forming sequence. This two-mode behavior can be described with a broken linear fit in 12+log(O/H) versus log (SFR/M {sub *}), at a given M {sub *}. Previous parameterizations used for comparative analysis with higher redshift samples that do not account for the more detailed behavior of the local M {sub *}-Z-SFR relation may incorrectly lead to the conclusion that those samples follow a different relationship.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Toward Online Adaptive Hyperthermia Treatment Planning: Correlation Between Measured and Simulated Specific Absorption Rate Changes Caused by Phase Steering in Patients

Purpose: Hyperthermia is the clinical application of heat, in which tumor temperatures are raised to 40°C to 45°C. This proven radiation and chemosensitizer significantly improves clinical outcome for several tumor sites. Earlier studies of the use of pre-treatment planning for hyperthermia showed good qualitative but disappointing quantitative reliability. The purpose of this study was to investigate whether hyperthermia treatment planning (HTP) can be used more reliably for online adaptive treatment planning during locoregional hyperthermia treatments. Methods and Materials: This study included 78 treatment sessions for 15 patients with non-muscle-invasive bladder cancer. At the start of treatments, temperature rise measurements were performed with 3 different antenna settings optimized for each patient, from which the absorbed power (specific absorption rate [SAR]) was derived. HTP was performed based on a computed tomography (CT) scan in treatment position with the bladder catheter in situ. The SAR along the thermocouple tracks was extracted from the simulated SAR distributions. Correlations between measured and simulated (average) SAR values were determined. To evaluate phase steering, correlations between the changes in simulated and measured SAR values averaged over the thermocouple probe were determined for all 3 combinations of antenna settings. Results: For 42% of the individual treatment sessions, the correlation coefficient between measured and simulated SAR profiles was higher than 0.5, whereas 58% showed a weak correlation (R of <0.5). The overall correlation coefficient between measured and simulated average SAR was weak (R=0.31; P<.001). The measured and simulated changes in average SAR after adapting antenna settings correlated much better (R=0.70; P<.001). The ratio between the measured and simulated quotients of maximum and average SARs was 1.03 ± 0.26 (mean ± SD), indicating that HTP can also correctly predict the relative amplitude of SAR peaks. Conclusions: HTP can correctly predict SAR changes after adapting antenna settings during hyperthermia treatments. This allows online adaptive treatment planning, assisting the operator in determining antenna settings resulting in increased tumor temperatures.

62 RADIOLOGY AND NUCLEAR MEDICINE↗