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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

XANES and EXAFS of dilute solutions of transition metals at XFELs

This work has demonstrated that X-ray absorption spectroscopy (XAS), both Mn XANES and EXAFS, of solutions with millimolar concentrations of metal is possible using the femtosecond X-ray pulses from XFELs. Mn XAS data were collected using two different sample delivery methods, a Rayleigh jet and a drop-on-demand setup, with varying concentrations of Mn. Here, a new method for normalization of XAS spectra based on solvent scattering that is compatible with data collection from a highly variable pulsed source is described. The measured XANES and EXAFS spectra of such dilute solution samples are in good agreement with data collected at synchrotron sources using traditional scanning protocols. The procedures described here will enable XFEL-based XAS on dilute biological samples, especially metalloproteins, with low sample consumption. Details of the experimental setup and data analysis methods used in this XANES and EXAFS study are presented. This method will also benefit XAS performed at high-repetition-rate XFELs such as the European XFEL, LCLS-II and LCLS-II-HE.

Chatterjee, Ruchira (ORCID:000000020865061X)↗
DOE OSTI2015

Strong variability of overlapping iron broad absorption lines in five radio-selected quasars

We present a study of the variability of broad absorption lines (BALs) in a uniformly radio-selected sample of 28 BAL quasars using the archival data from the FIRST Bright Quasar Survey and the Sloan Digital Sky Survey as well as data we obtained ourselves, covering timescales of ∼1−10 yr in the quasar rest frame. To our surprise, five quasars exhibiting strong variations all belong to a special subclass of “overlapping-trough” iron low-ionization BAL (OFeLoBAL) quasars; however, four other non-overlapping FeLoBALs (non-OFeLoBALs) are invariant, except in one case with a weak change in optical depth. Meanwhile, we also identify six typical variations of high-ionization and low-ionization BALs in this BAL quasar sample. Photoionization models suggest that OFeLoBALs are formed in relatively dense (n{sub e} > 10{sup 6} cm{sup −3}) outflows at distances from the continuum source that range from the subparsec scale to dozens of parseconds. These formation conditions differ from those of non-OFeLoBALs, which are likely produced by low-density gas located at distances of hundreds to thousands of parseconds. Thus, OFeLoBALs and non-OFeLoBALs, i.e., FeLoBALs with/without strong BAL variations, may represent the bimodality of Fe ii absorption; the former are located in active galactic nucleus environments rather than in the host galaxy. We suggest that a high density and a small distance are the necessary conditions for the creation of OFeLoBALs. As suggested in the literature, strong BAL variability is possibly attributable to variability in the covering factor of the BAL regions caused by clouds transiting across the line of sight rather than to variations in ionization.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Data from: Understanding the biogeochemical and spatial drivers of methane and carbon dioxide fluxes in a large temperate reservoir

This dataset contains spatially resolved measurements of CO₂ and CH₄ fluxes and associated environmental variables collected across 200 sites in Douglas Reservoir (Tennessee, USA) between July 29-August 2, 2024. Measurements include diffusive fluxes of CO₂ and CH₄, CH₄ ebullition, and biogeochemical and spatial variables such as dissolved oxygen, temperature, conductivity, chlorophyll-a, pH, water depth, and distance from the dam. Sampling was conducted using a spatially balanced design to capture longitudinal and depth-related gradients throughout the reservoir. The dataset is structured to support analyses of spatial variability, flux pathway comparisons, and modeling approaches (e.g., spatial statistics and machine learning) aimed at understanding controls on reservoir CO₂ and CH₄ fluxes and improving upscaling to whole-reservoir and regional estimates.

Neeper, Jamie [ORNL] (ORCID:0009000842342101)↗
DOE OSTI2017

The Solar Neighborhood. XXXX. Parallax Results from the CTIOPI 0.9 m Program: New Young Stars Near the Sun

As a step toward completing and characterizing the census of the solar neighborhood, we present astrometric, photometric, and spectroscopic observations of 32 systems observed with the Cerro Tololo Inter-American Observatory 0.9 m and 1.5 m telescopes. Astrometry from the 0.9 m indicates that among the 17 systems that had no previous published trigonometric parallaxes, 14 are within 25 pc. In the full sample, nine systems have proper motions larger than 0.″5 yr{sup −1}, including 2MASS J02511490-0352459, which exceeds 2.″0 yr{sup −1}. VRI photometry from the 0.9 m and optical spectra from the 1.5 m indicate that the targets have V = 11–22 mag and spectral types M3.0V–L3.0V. For 2MASS J23062928-0502285 (TRAPPIST-1), we present updated astrometry and photometric variability based on over 12 years of observations. Of the nine binaries in the sample, two promise mass determinations in the next decade: LHS 6167AB, an M4.5V system for which we present an accurate parallax placing the binary at 9.7 pc, and 2MASS J23515048-2537367AB, an M8.5V system at 21.1 pc for which we present the first evidence of an unseen, low-mass companion. Most importantly, Na i and K i gravity indicators, H α measurements, long-term photometric variability, locations on the H-R diagram, and kinematic assessments indicate that as many as 13 of the systems are young, including candidate members of young moving groups, with ages less than ∼120 Myr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Data mining and statistical inference in selective laser melting

Selective laser melting (SLM) is an additive manufacturing process that builds a complex three-dimensional part, layer-by-layer, using a laser beam to fuse fine metal powder together. The design freedom afforded by SLM comes associated with complexity. As the physical phenomena occur over a broad range of length and time scales, the computational cost of modeling the process is high. At the same time, the large number of parameters that control the quality of a part make experiments expensive. In this paper, we describe ways in which we can use data mining and statistical inference techniques to intelligently combine simulations and experiments to build parts with desired properties. We start with a brief summary of prior work in finding process parameters for high-density parts. We then expand on this work to show how we can improve the approach by using feature selection techniques to identify important variables, data-driven surrogate models to reduce computational costs, improved sampling techniques to cover the design space adequately, and uncertainty analysis for statistical inference. Here, our results indicate that techniques from data mining and statistics can complement those from physical modeling to provide greater insight into complex processes such as selective laser melting.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Comparing Transcriptomic Points of Departure to Apical Effect Concentrations For Larval Fathead Minnow Exposed to Chemicals with Four Different Modes Of Action

It is postulated that below a transcriptomic-based point of departure, adverse effects are unlikely to occur, thereby providing a chemical concentration to use in screening level hazard assessment. The present study extends previous work describing a high-throughput fathead minnow assay that can provide full transcriptomic data after exposure to a test chemical. One-day post-hatch fathead minnows were exposed to ten concentrations of three representatives of four chemical modes of action: organophosphates, ecdysone receptor agonists, plant photosystem II inhibitors, and estrogen receptor agonists for 24 h. Concentration response modeling was performed on whole body gene expression data from each exposure, using measured chemical concentrations when available. Transcriptomic points of departure in larval fathead minnow were lower than apical effect concentrations across fish species but not always lower than toxic effect concentrations in other aquatic taxa like crustaceans and insects. The point of departure was highly dependent on measured chemical concentration which were often lower than the nominal concentration. Differentially expressed genes between chemicals within modes of action were compared and often showed statistically significant overlap. In addition, reproducibility between identical exposures using a positive control chemical (CuSO 4 ) and variability associated with the transcriptomic point of departure using in silico sampling were considered. Results extend a transcriptomic-compatible fathead minnow high-throughput assay for possible use in ecological hazard screening.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

How much carbon can be added to soil by sorption?

Abstract Quantifying the upper limit of stable soil carbon storage is essential for guiding policies to increase soil carbon storage. One pool of carbon considered particularly stable across climate zones and soil types is formed when dissolved organic carbon sorbs to minerals. We quantified, for the first time, the potential of mineral soils to sorb additional dissolved organic carbon (DOC) for six soil orders. We compiled 402 laboratory sorption experiments to estimate the additional DOC sorption potential, that is the potential of excess DOC sorption in addition to the existing background level already sorbed in each soil sample. We estimated this potential using gridded climate and soil geochemical variables within a machine learning model. We find that mid- and low-latitude soils and subsoils have a greater capacity to store DOC by sorption compared to high-latitude soils and topsoils. The global additional DOC sorption potential for six soil orders is estimated to be 107 $$\pm$$ ± 13 Pg C to 1 m depth. If this potential was realized, it would represent a 7% increase in the existing total carbon stock.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nitrogen fixation rates in the Guinea Dome and the equatorial upwelling regions in the Atlantic Ocean

Abstract Biological nitrogen fixation is a key process balancing the loss of combined nitrogen in the marine nitrogen cycle. Its relevance in upwelling or high nutrient regions is still unclear, with the few available studies in these regions of the ocean reporting rates that vary widely from below detection limit to > 100 nmol N L −1 d −1 . In the eastern tropical Atlantic Ocean, two open ocean upwelling systems are active in boreal summer. One is the seasonal equatorial upwelling, where the residual phosphorus associated with aged upwelled waters is suggested to enhance nitrogen fixation in this season. The other is the Guinea Dome, a thermal upwelling dome. We conducted two surveys along 23° W across the Guinea Dome and the Equator from 15° N to 5° S in September 2015 and August–September 2016 with high latitudinal resolution (20–60 nm between stations). The abundance of Trichodesmium colonies was characterized by an Underwater Vision Profiler 5 and the total biological nitrogen fixation in the euphotic layer was measured using the 15 N 2 technique. The highest abundances of Trichodesmium colonies were found in the area of the Guinea Dome (9°–15° N) with a maximum of 3 colonies L −1 near the surface. By contrast, colonies were almost absent in the Equatorial band between 2° N and 5° S. The highest nitrogen fixation rate was measured at the northern edge of the Guinea Dome in 2016 (ca. 31 nmol N L −1 d −1 ). In this region, where diazotrophs thrived on a sufficient supply of both phosphorus and iron, a patchy distribution was unveiled by our increased spatial resolution scheme. In the Equatorial band, rates were considerably lower, ranging from below detection limit to ca. 4 nmol N L −1 d −1 , with a clear difference in magnitude between 2015 (rates close to zero) and 2016 (average rates around 2 nmol N L −1 d −1 ). This difference seemed triggered by a contrasting supply of phosphorus between years. Our study stresses the importance of surveys with sampling at fine-scale spatial resolution, and shows unexpected high variability in the rates of nitrogen fixation in the Guinea Dome, a region where diazotrophy is a significant process supplying new nitrogen into the euphotic layer.

Fernández-Carrera, Ana (ORCID:0000000183470996)↗
DOE OSTI2023

A neural network for beam background decomposition in Belle II at SuperKEKB

Here, we describe a neural network for predicting the background hit rate in the Belle II detector produced by the SuperKEKB electron-positron collider. The neural network, BGNet, learns to predict the individual contributions of different physical background sources, such as beam-gas scattering or continuous top-up injections into the collider, to Belle II sub-detector rates. The samples for learning are archived 1 Hz time series of diagnostic variables from the SuperKEKB collider subsystems and measured hit rates of Belle II used as regression targets. We test the learned model by predicting detector hit rates on archived data from different run periods not used during training. We show that a feature attribution method can help interpret the source of changes in the background level over time.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Constraining the Aerosol Effects on Deep Convective Clouds by Considering the Coupling Between Clouds and the Planetary Boundary Layer

Several mechanisms have been proposed for the aerosol invigoration effect. Although their principles are well established, their actual magnitudes and roles in cloud development remain uncertain and debatable. This uncertainty partly stems from observational-based studies, in which it has been challenging to separate the co-variability between aerosols and meteorology. Addressing this problem requires large data samples. To this end, this study employs the Atmospheric Radiation Measurement data set expanding to 16 years (some up to 17 years, compared to 10 years in previous work) in the U.S. Southern Great Plains. It also conducts a more careful and rigorous analysis to isolate the influences of convective available potential energy (CAPE) and synoptic patterns to address a previously raised concern. We incorporated a new key process affecting aerosol-cloud interaction: cloud-surface coupling. The state/degree of the coupling relationship turns out to play an important role in the invigoration effect. Our analysis reinforces earlier findings of a robust positive relationship between cloud thickness and aerosol loading across CAPE percentiles—but only under cloud-surface coupled conditions. The increase in cloud thickness with aerosol loading is most pronounced in coupled clouds with high CAPE and bases below 1 km. Coupled clouds with bases below 1 km thicken between 1 and 4 km, depending on the CAPE percentile. Decoupled clouds show no such systematic changes. Synoptic patterns also lead to different strengths of the invigoration effect. Clean and polluted air masses are predominantly associated with northerly and southerly winds, respectively, with a stronger invigoration effect in cleaner air masses.

Geosciences↗
DOE OSTI2022

Bioremediation of copper in sediments from a constructed wetland ex situ with the novel bacterium Cupriavidus basilensis SRS

The H-02 constructed wetland was designed to remove metals (primarily copper and zinc) to treat building process water and storm water runoff from multiple sources associated with the Tritium Facility at the DOE-Savannah River Site, Aiken, SC. The concentration of Cu and Zn in the sediments has increased over the lifetime of the wetland and is a concern. A bioremediation option was investigated at the laboratory scale utilizing a newly isolated bacterium of the copper metabolizing genus Cupriavidus isolated from Tim’s Branch Creek, a second-order stream that eventually serves as a tributary to the Savannah River, contaminated with uranium and other metals including copper, nickel, and mercury. Cupriavidus basilensis SRS is a rod-shaped, gram-negative bacterium which has been shown to have predatory tendencies. The isolate displayed resistance to the antibiotics ofloxacin, tetracycline, ciprofloxacin, select fungi, as well as Cu 2+ and Zn 2+ . Subsequent ribosomal sequencing demonstrated a 100% confidence for placement in the genus Cupriavidus and a 99.014% match to the C. basilensis type strain. When H-02 wetland samples were inoculated with Cupriavidus basilensis SRS samples showed significant (p < 0.05) decrease in Cu 2+ concentrations and variability in Zn 2+ concentrations. Over the 72-h incubation there were no significant changes in the inoculate densities (10 6 –10 8 cells/ML) indicating Cupriavidus basilensis SRS resiliency in this environment. This research expands our understanding of the Cupriavidus genus and demonstrates the potential for Cupriavidus basilensis SRS to bioremediate sites impacted with heavy metals, most notably copper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Characterization of spent nuclear fuel canister surface roughness using surface replicating molds

In this study we present a replication method to determine surface roughness and to identify surface features when a sample cannot be directly analyzed by conventional techniques. As a demonstration, this method was applied to an unused spent nuclear fuel dry storage canister to determine variation across different surface features. In this study, an initial material down-selection was performed to determine the best molding agent and determined that non-modified Polytek PlatSil23-75 provided the most accurate representation of the surface while providing good usability. Other materials that were considered include Polygel Brush-On 35 polyurethane rubber (with and without Pol-ease 2300 release agent), Polytek PlatSil73-25 silicone rubber (with and without PlatThix thickening agent and Pol-ease 2300 release agent), and Express STD vinylpolysiloxane impression putty. The ability of PlatSil73-25 to create an accurate surface replica was evaluated by creating surface molds of several locations on surface roughness standards representing ISO grade surfaces N 3 , N 5 , N 7 , and N 8 . Overall, the molds were able to accurately reproduce the expected roughness average (R a ) values, but systematically over-estimated the peak-valley maximum roughness (R z ) values. Using a 3D printed sample cell, several locations across the stainless steel spent nuclear fuel canister were sampled to determine the surface roughness. These measurements provided information regarding variability in normal surface roughness across the canister as well as a detailed evaluation on specific surface features (e.g., welds, grind marks, etc.). The results of these measurements can support development of dry storage canister ageing management programs, as surface roughness is an important factor for surface dust deposition and accumulation. This method can be applied more broadly to different surfaces beyond stainless steel to provide rapid, accurate surface replications for analytical evaluation by profilometry.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Magnetic and transport properties of cobalt doped La₀.₇Sr₀.₃MnO₃

The magnetic and transport properties of La₀.₇Sr₀.₃Mn{sub 1–x}CoxO₃ (0≤x≤1) samples were systematically studied. A magnetic phase diagram was constructed according to the observed results. At the two ends (x ≤ 0.3 and x>0.9), the samples exhibit the conventional ferromagnetism with the metallic conducting behavior, which can be interpreted in terms of the double exchange coupling between Mn (Co) ions. As for the intermediate Co-doping region (0.3<x≤0.9), the samples enter a mixed magnetic phase state, which displays the characteristics of the glassy states. According to the frequency-dependent results from the ac susceptibility, a representative frequency sensitivity factor K was calculated to be ~0.1 for the typical La₀.₇Sr₀.₃Mn₀.₆Co₀.₄O₃ sample, corresponding to the coexistence of superparamagnetic-like free spins and the reentrant spin glass. The results of the Curie-Weiss fitting of the dc magnetization suggest that the Co³⁺ ions are in the intermediate spin state with the increase of Co-doping level (x ≥ 0.3), while the Co⁴⁺ ions show the spin state transition from the high spin state to the intermediate spin state at x=0.6. The temperature dependence of resistivity shows a metal-insulator transition character for the intermediate Co-doping samples, which can be well fitted by the three dimensional variable-range-hopping model in the whole temperature range. These facts suggest that the double exchange interaction in the perovskite La₀.₇Sr₀.₃MnO₃ is destroyed by the B site doping, due to the strong competition between the double exchange and superexchange interactions in Co/Mn ions as well as the frustration of spins in the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Low vibration high numerical aperture automated variable temperature Raman microscope

Raman micro-spectroscopy is well suited for studying a variety of properties and has been applied to wide- ranging areas. Combined with tuneable temperature, Raman spectra can offer even more insights into the properties of materials. However, previous designs of variable temperature Raman microscopes have made it extremely challenging to measure samples with low signal levels due to thermal and positional instability as well as low collection efficiencies. Thus, contemporary Raman microscope has found limited applicability to probing the subtle physics involved in phase transitions and hysteresis. This paper describes a new design of a closed-cycle, Raman microscope with full polarization rotation. High collection efficiency, thermal and mechanical stability are ensured by both deliberate optical, cryogenic, and mechanical design. Measurements on two samples, Bi 2 Se 3 and V 2 O 3 , which are known as challenging due to low thermal conductivities, low signal levels and/or hysteretic effects, are measured with previously undemonstrated temperature resolution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

On the turbulent flow in piston engines: Coupling of statistical theory quantities and instantaneous turbulence

Planar particle image velocimetry (PIV) and tomographic PIV (TPIV) measurements are utilized to analyze turbulent statistical theory quantities and the instantaneous turbulence within a single-cylinder optical engine. Measurements are performed during the intake and mid-compression stroke at 800 and 1500 RPM. TPIV facilitates the evaluation of spatially resolved Reynolds stress tensor (RST) distributions, anisotropic Reynolds stress invariants, and instantaneous turbulent vortical structures. The RST analysis describes distributions of individual velocity fluctuation components that arise from unsteady turbulent flow behavior as well as cycle-to-cycle variability (CCV). A conditional analysis, for which instantaneous PIV images are sampled by their tumble center location, reveals that CCV and turbulence have similar contributions to RST distributions at the mean tumble center, but turbulence is dominant in regions peripheral to the tumble center. Analysis of the anisotropic Reynolds stress invariants reveals the spatial distribution of axisymmetric expansion, axisymmetric contraction, and 3D isotropy within the cylinder. Findings indicate that the mid-compression flow exhibits a higher tendency toward 3D isotropy than the intake flow. A novel post-processing algorithm is utilized to classify the geometry of instantaneous turbulent vortical structures and evaluate their frequency of occurrence within the cylinder. Findings are coupled with statistical theory quantities to provide a comprehensive understanding of the distribution of turbulent velocity components, the distribution of anisotropic states of turbulence, and compare the turbulent vortical flow distribution that is theoretically expected to what is experimentally observed. The analyses reveal requisites of important turbulent flow quantities and discern their sensitivity to the local flow topography and engine operation.

42 ENGINEERING↗
DOE OSTI2025

Comparing three generations of D-Wave quantum annealers for minor embedded combinatorial optimization problems

Abstract Quantum annealing (QA) is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. QA in the transverse Ising model, implemented on D-Wave quantum processing units, are available as cloud computing resources. In this study we report concise benchmarks across three generations of D-Wave quantum annealers, consisting of four different devices, for the NP-hard discrete combinatorial optimization problems unweighted maximum clique and unweighted maximum cut on random graphs. The Ising, or equivalently quadratic unconstrained binary optimization, formulation of these problems do not require auxiliary variables for order reduction, and their overall structure and weights are not highly variable, which makes these problems simple test cases to understand the sampling capability of current D-Wave quantum annealers. All-to-all minor embeddings of size 52, with relatively uniform chain lengths, are used for a direct comparison across the Chimera, Pegasus, and Zephyr device topologies. A grid-search over annealing times and the minor embedding chain strengths is performed in order to determine the level of reasonable performance for each device and problem type. Experiment metrics that are reported are approximation ratios for non-broken chain samples, chain break proportions, and time-to-solution for the maximum clique problem instances. How fairly the quantum annealers sample optimal maximum cliques, for instances which contain multiple maximum cliques, is quantified using entropy of the measured ground state distributions. The newest generation of quantum annealing hardware, which has a Zephyr hardware connectivity, performed the best overall with respect to approximation ratios and chain break frequencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Hopping crossover and high-temperature superspin glass behavior in Ni films deposited on MoS 2

Realizing the potential of MoS 2 and other two-dimensional semiconductors in spintronic devices requires a fundamental understanding of their interaction with ferromagnetic metals. We have investigated the transport and magnetic properties of thin Ni films grown on single-crystal MoS 2 substrates. The Ni is found to have a granular morphology with an average grain size of approximately 2 nm. Like previously investigated granular Ni/insulator composites below the percolation threshold, transport is found to proceed via hopping. However, our Ni/MoS 2 sample exhibits a dual crossover: activated hopping to 𝑇−1/2 variable-range hopping at a higher temperature and then a transition to power-law behavior at a lower temperature. The magnetoresistance was used as a novel probe for uncovering superspin-glass-like behavior above room temperature in the Ni/MoS 2 nanostructure, which also exhibits a collective ferromagnetic state at very low temperatures, reminiscent of superferromagnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗