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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Direct Real-Time Detection of RDX Vapors Under Ambient Conditions

The results in this manuscript represent a demonstration of RDX vapor detection in real time at ambient temperature without sample pre-concentration. The detection of vapors from the low volatility explosive compound RDX was achieved through selective atmospheric pressure chemical ionization using nitrate reactant ions (NO3-), and NO3-•HNO3 adducts generated in an electrical discharge source. The RDX vapors were ionized in a reaction region, which provided a variable (up to several seconds) reaction time. The reaction times were controlled by either flow in an atmospheric flow tube (AFT) or by electric field in an atmospheric drift tube (ADT). Both AFT and ADT were interfaced to a quadrupole mass spectrometer for ion detection and identification. Recorded signals were observed for RDX concentrations below 25 ppq using selected ion monitoring (SIM) of the RDX-nitrate adduct at m/z 284.

Ewing, Robert G↗
DOE OSTI2021

Genetic dissection of natural variation in oilseed traits of camelina by whole‐genome resequencing and QTL mapping

Abstract Camelina [ Camelina sativa (L.) Crantz] is an oilseed crop in the Brassicaceae family that is currently being developed as a source of bioenergy and healthy fatty acids. To facilitate modern breeding efforts through marker‐assisted selection and biotechnology, we evaluated genetic variation among a worldwide collection of 222 camelina accessions. We performed whole‐genome resequencing to obtain single nucleotide polymorphism (SNP) markers and to analyze genomic diversity. We also conducted phenotypic field evaluations in two consecutive seasons for variations in key agronomic traits related to oilseed production such as seed size, oil content (OC), fatty acid composition, and flowering time. We determined the population structure of the camelina accessions using 161,301 SNPs. Further, we identified quantitative trait loci (QTL) and candidate genes controlling the above field‐evaluated traits by genome‐wide association studies (GWAS) complemented with linkage mapping using a recombinant inbred line (RIL) population. Characterization of the natural variation at the genome and phenotypic levels provides valuable resources to camelina genetic studies and crop improvement. The QTL and candidate genes should assist in breeding of advanced camelina varieties that can be integrated into the cropping systems for the production of high yield of oils of desired fatty acid composition.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Global interfertility and heterosis in sugar kelp populations: a next step in sugar kelp breeding

Abstract The potential of seaweed aquaculture is restricted by high labor, production and processing costs, leading to low economic viability. Selective breeding can improve yields and cultivation efficiency, thereby decreasing production costs. Until now, genetic resources as input for Saccharina latissimabreeding trials have been sourced strictly locally, due to concerns regarding outplanting genetically exogenous material in local waters. Here we study, for the first time, worldwide interregional fertility of the seaweedS. latissima,in order to assess the potential of including globalS. latissimagenetic resources for selective breeding with regard to heterosis. We quantified the yield (as an indicative aquacultural performance) and morphological traits of intra- and interregionalS. latissimahybrids originating from a broad range of locations in a common garden experiment. Our results show that the practical application of worldwideS. latissimagenetic resources in breeding programs is feasible based on global interfertility. We found a wide morphological diversity of hybrids and observed significant heterosis in interregional hybrids. The degree of heterosis could not be linked to geographic distance. These findings reveal that worldwide genetic resources can considerably contribute toS. latissimabreeding programs and could offer a major next step in improving yields and quality traits.

Biotechnology & Applied Microbiology↗
DOE OSTI2017

The IceCube realtime alert system

Although high-energy astrophysical neutrinos were discovered in 2013, their origin is still unknown. Aiming for the identification of an electromagnetic counterpart of a rapidly fading source, we have implemented a realtime analysis framework for the IceCube neutrino observatory. Several analyses selecting neutrinos of astrophysical origin are now operating in realtime at the detector site in Antarctica and are producing alerts for the community to enable rapid follow-up observations. The goal of these observations is to locate the astrophysical objects responsible for these neutrino signals. This paper highlights the infrastructure in place both at the South Pole site and at IceCube facilities in the north that have enabled this fast follow-up program to be implemented. Additionally, this paper presents the first realtime analyses to be activated within this framework, highlights their sensitivities to astrophysical neutrinos and background event rates, and presents an outlook for future discoveries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

ToF-SIMS in material research: A view from nanoscale hydrogen detection

Hydrogen in materials has attracted tremendous interest as its incorporation leads to significant alterations in nanoscale structure, composition, and chemistry, impacting functional properties. It has also been integral to nuclear fusion reactors and is considered a future clean energy source. However, nanoscale characterization and manipulation of hydrogen in materials are challenging as only a selected few analytical techniques can readily detect hydrogen, among which time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a unique and powerful one due to its excellent detection limit along with decent depth and lateral resolutions. Here, in this review, we discuss, using selected examples, how to detect and quantify hydrogen in materials by ToF-SIMS and its impact on revealing the hydrogenation/protonation-induced novel functional states in different classes of materials. In addition, we present our protocols on sample preparation and experimental conditions optimization, allowing us to achieve the best possible results. Finally, we highlight future research directions that can lead to the discovery of novel functional states and ultimately provide a deeper understanding of scientific questions in materials science.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Organic Hole Transport Material Ionization Potential Dictates Diffusion Kinetics of Iodine Species in Halide Perovskite Devices

Iodine-containing volatiles are major degradation products of halide perovskite materials under irradiation, yet iodine diffusion kinetics into and throughout organic hole transport materials (HTMs) and consequent reactions are largely unexplored. In this work, we modify the Ca:O 2 corrosion test to Ag:I 2 to quantify I 2 transmission rates through common organic HTMs. We observe I 2 permeability to inversely correlate with HTM ionization energy, or the highest occupied molecular orbital (HOMO) energy. Tracking electronic conductance during exposure to I 2 confirms shallow HOMO HTMs are strongly oxidized (i.e., doped), leading to substantial I 2 uptake and increased transmission rates. Finally, relationships between HOMO level, doping, and transmission rate are maintained when methylammonium lead triiodide (MAPbI 3 ) photolysis products are the only source of iodine. While HTM energetics influence the initial performance of halide perovskite devices by selective charge extraction, our results further suggest they will affect device stability; deeper HOMO energy HTMs will suppress iodine migration and associated degradation mechanisms.

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

Oxidation of a Monomethylpalladium(II) Complex with O 2 in Water: Tuning Reaction Selectivity to Form Ethane, Methanol, or Methylhydroperoxide

We report photochemical aerobic oxidation of n -Pr 4 N[(dpms)Pd II Me(OH)] ( 5 ) and (dpms)Pd II Me(OH 2 ) ( 8 ) (dpms = di(2-pyridyl)methanesulfonate) in water in the pH range of 6–14 at 21 °C was studied and found to produce, in combined high yield, a mixture of MeOH, C 2 H 6 , and MeOOH along with water-soluble n -Pr 4 N[(dpms)Pd II (OH) 2 ] ( 9 ). By changing the reaction pH and concentration of the substrate, the oxidation reaction can be directed toward selective production of ethane (up to 94% selectivity) or methanol (up to 54% selective); the yield of MeOOH can be varied in the range of 0–40%. The source of ethane was found to be an unstable dimethyl Pd IV complex (dpms)Pd IV Me 2 (OH) ( 7 ), which could be generated from 5 and MeI. For shedding light on the role of MeOOH in the aerobic reaction, oxidation of 5 and 8 with a range of hydroperoxo compounds, including MeOOH, t -BuOOH, and H 2 O 2 , was carried out. The proposed mechanism of aerobic oxidation of 5 or 8 involves predominant direct reaction of excited methylpalladium(II) species with O 2 to produce a highly electrophilic monomethyl Pd IV transient that is involved in subsequent transfer of its methyl group to 5 or 8 , H 2 O, and other nucleophilic components of the reaction mixture.

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

Optimizing Seasonal‐To‐Decadal Analog Forecasts With a Learned Spatially‐Weighted Mask

Abstract Seasonal‐to‐decadal climate prediction is crucial for decision‐making in a number of industries, but forecasts on these timescales have limited skill. Here, we develop a data‐driven method for selecting optimal analogs for seasonal‐to‐decadal analog forecasting. Using an interpretable neural network, we learn a spatially‐weighted mask that quantifies how important each grid point is for determining whether two climate states will evolve similarly. We show that analogs selected using this weighted mask provide more skillful forecasts than analogs that are selected using traditional spatially‐uniform methods. This method is tested on two prediction problems using the Max Planck Institute for Meteorology Grand Ensemble: multi‐year prediction of North Atlantic sea surface temperatures, and seasonal prediction of El Niño Southern Oscillation. This work demonstrates a methodical approach to selecting analogs that may be useful for improving seasonal‐to‐decadal forecasts and understanding their sources of skill.

Geology↗
DOE OSTI2024

Pre-equilibrium reactions involving pendent relays improve CO 2 reduction mediated by molecular Cr-based electrocatalysts

Homogeneous earth abundant transition-metal electrocatalysts capable of carbon dioxide (CO 2 ) reduction to generate value-added chemical products are a possible strategy to minimize rising anthropogenic CO 2 emissions. Previously, it was determined that Cr-centered bipyridine-based N 2 O 2 complexes for CO 2 reduction are kinetically limited by a proton-transfer step during C–OH bond cleavage. Therefore, it was hypothesized that the inclusion of pendent relay groups in the secondary coordination sphere of these molecular catalysts could increase their catalytic activity. Here, it is shown that the introduction of a pendent methoxy group favorably impacts a pre-equilibrium protonation prior to the catalytic resting state, resulting in a significant increase in catalytic activity without a loss of product selectivity for generating carbon monoxide (CO) from CO 2 . Interestingly, combining the pendent methoxy group with a cationic acid causes a positive shift of the catalytic reduction potential of the system, while maintaining increased activity and quantitative selectivity. This work suggests that tuning the secondary coordination sphere with respect to cationic proton sources can result in activity improvements by modifying the kinetic and thermodynamic aspects of proton transfer in the catalytic cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Development of a time-variable nuclear pulser for half life measurements

In this work a time-variable pulser system with an exponentially-decaying pulse frequency is presented, which was developed using the low-cost, open-source Arduino microcontroler plataform. In this system, the microcontroller produces a TTL signal in the selected rate and a pulse shaper board adjusts it to be entered in an amplifier as a conventional pulser signal; both the decay constant and the initial pulse rate can be adjusted using a user-friendly control software, and the pulse amplitude can be adjusted using a potentiometer in the pulse shaper board. The pulser was tested using several combinations of initial pulse rate and decay constant, and the results show that the system is stable and reliable, and is suitable to be used in half-life measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

CHARACTERIZING THE MID-INFRARED EXTRAGALACTIC SKY WITH WISE AND SDSS

The Wide-field Infrared Survey Explorer (WISE) has completed its all-sky survey in four channels at 3.4-22 {mu}m, detecting hundreds of millions of objects. We merge the WISE mid-infrared data with optical data from the Sloan Digital Sky Survey (SDSS) and provide a phenomenological characterization of WISE extragalactic sources. WISE is most sensitive at 3.4 {mu}m (W1) and least sensitive at 22 {mu}m (W4). The W1 band probes massive early-type galaxies out to z {approx}> 1. This is more distant than SDSS identified early-type galaxies, consistent with the fact that 28% of 3.4 {mu}m sources have faint or no r-band counterparts (r > 22.2). In contrast, 92%-95% of 12 {mu}m and 22 {mu}m sources have SDSS optical counterparts with r {<=} 22.2. WISE 3.4 {mu}m detects 89.8% of the entire SDSS QSO catalog at S/N{sub W1} >7{sigma}, but only 18.9% at 22 {mu}m with S/N{sub W4} > 5{sigma}. We show that WISE colors alone are effective in isolating stars (or local early-type galaxies), star-forming galaxies, and strong active galactic nuclei (AGNs)/QSOs at z {approx}< 3. We highlight three major applications of WISE colors: (1) Selection of strong AGNs/QSOs at z {<=} 3 using W1 - W2 > 0.8 and W2 < 15.2 criteria, producing a better census of this population. The surface density of these strong AGN/QSO candidates is 67.5 {+-} 0.14 deg{sup -2}. (2) Selection of dust-obscured, type-2 AGN/QSO candidates. We show that WISE W1 - W2 > 0.8, W2 < 15.2 combined with r - W2 > 6 (Vega) colors can be used to identify type-2 AGN candidates. The fraction of these type-2 AGN candidates is one-third of all WISE color-selected AGNs. (3) Selection of ultraluminous infrared galaxies (ULIRGs) at z {approx} 2 with extremely red colors, r - W4 > 14 or well-detected 22 {mu}m sources lacking detections in the 3.4 and 4.6 {mu}m bands. The surface density of z {approx} 2 ULIRG candidates selected with r - W4 > 14 is 0.9 {+-} 0.07 deg{sup -2} at S/N{sub W4} {>=} 5 (the corresponding, lowest flux density of 2.5 mJy), which is consistent with that inferred from smaller area Spitzer surveys. Optical spectroscopy of a small number of these high-redshift ULIRG candidates confirms our selection, and reveals a possible trend that optically fainter or r - W4 redder candidates are at higher redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

HIGH RESOLUTION FLUORESCENCE SPECTROSCOPY OF LASER-INDUCED PLASMAS

In this study, we use a cw ultra-narrowband tunable laser source for performing LIF of LPP with an emphasis on measuring the inherent linewidths of selected U transitions with varying ambient pressure levels as well as its use in isotopic analysis

Harilal, Sivanandan S.↗
DOE OSTI2024

Metagenome-assembled genomes of freshwater Hyphomicrobium sp. G-191 and Methylophilus sp. enriched from Cedar Swamp, Woods Hole, MA

ABSTRACT Hyphomicrobium are facultative denitrifying anaerobes capable of using one-carbon compounds as a sole carbon source. Hyphomicrobium sp. G-191 was enriched from Cedar Swamp, Woods Hole, Massachusetts, using a selective medium for methanol-utilizing bacteria. We present two draft metagenome-assembled genomes (MAGs) of a Hyphomicrobium and a Methylophilus species.

Huang, Yolanda (ORCID:0000000312631515)↗
DOE OSTI2017

Inelastic X-ray scattering with very high resolution at the ESRF

The investigation of phonon dispersion in crystalline materials and collective atom motions in disordered matter such as liquids and glasses by inelastic X-ray scattering has attracted a diversified user community with the advent of 3{sup rd} generation synchrotron sources. The present article provides a short historical account of the research field and discusses selected highlights of research performed on the ESRF inelastic scattering beamlines ID16 and ID28 in the past ten years.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Detector Response Function and Directional Gamma-Ray Source Calculations for Polaris

A Directional Unfolded Source Term (DUST) method was developed to compute directionally resolved gamma-ray source terms based on back-projection spectra synthesized by Compton Cameras. Spectral features in the unprocessed spectra are indistinct primarily because the rotational angles for the conical projections cannot be determined, so probability distributions are constructed from overlapping cones. The DUST method uses an angular response function to compute a covariance matrix, which is used to process count rates in back-projection spectra by linear regression to partition the gamma-rays among several spatial regions. This method was applied to analyze data collected by the Polaris detector during an evaluation that was conducted at Oak Ridge National Laboratory (ORNL). The evaluation includes measurements of calibration sources with angular separations ranging from 1° to more than 50°. Measurements were also performed for cylindrical depleted uranium castings and a 137 Cs source inside a large polyethylene sphere. The DUST algorithm was able to differentiate gamma-rays emitted by 137 Cs and 60 Co when the sources were separated by less than 2°, but separation greater than 10° was required to isolate the 133 Ba emission from gamma-rays emitted by the other sources. The computed source terms were consistent with emission profiles from the calibration sources and from models of the spatially-extended sources. Methods for viewing radiation profiles were also evaluated because user input is required to select spatial regions of interest.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Science Validation for Dark Energy Research with Optical Imaging Surveys

The Universe has been expanding at an accelerating rate over the past several billion years, as though an unknown form of dark energy permeates all of space. The ultimate scientific goal of the proposed research is to distinguish between different physical mechanisms that could account for this observed accelerated expansion, for example, the zero-point energy of the vacuum, a dynamical form of energy that varies in time and/or space, or a modification to our theory of gravity. Wide- field optical imaging surveys of the night sky can test these competing models by measuring both the cosmic expansion history and the growth of large-scale structure. To this end, the Dark Energy Survey (DES) has cataloged several hundred million galaxies and thousands of supernovae. The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), will enlarge the census to billions of galaxies and hundreds of thousands of supernovae. A critical question for these dark energy experiments is whether systematic uncertainties can continue to be controlled at a level to keep pace with the statistical precision offered by such enormous datasets. The immediate research objectives of this project were (1) to prepare and validate input datasets that are the foundation of cosmological analyses with DES, and (2) to prepare for value-added characterization of Rubin Observatory commissioning data to inform early operations and accelerate the realization of dark energy science from LSST data products. For DES, we assembled and curated cosmology-ready data releases that include value-added components such as enhanced photometric and astrometric calibrations, alternative source extraction algorithms, maps of the survey coverage and survey conditions, object classifications, object quality selections, galaxy shapes, and photometric redshifts. We used the galaxy clustering technique to validate the photometric redshift distributions of various galaxy samples to be used as lenses in combined studies of galaxy clustering and weak gravitational lensing. The galaxy clustering redshift analysis was enhanced by use of a larger sample of reference galaxies from the eBOSS spectroscopic survey that extends to higher redshifts. For LSST, we prepared for science validation studies of commissioning data aimed at dark energy science capability that extend beyond the normative system-level tests to be done by the Rubin Observatory Construction Project. We identified a set of proposed survey strategies and candidate target fields that could be observed during the commissioning period to enhance science validation activities related to studies of dark energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Selection of CVD Diamond Crystals for X-ray Monochromator Applications Using X-ray Diffraction Imaging

A set of 20 single crystal diamond plates synthesized using chemical vapor deposition (CVD) was studied using X-ray diffraction imaging to determine their applicability as side-bounce (single-reflection) Laue monochromators for synchrotron radiation. The crystal plates were of optical grade (as provided by the supplier) with (001) nominal surface orientation. High dislocation density was found for all samples. Distortions in the crystal lattice were quantified for low-index Laue reflections of interests using rocking curve topography. Maps of effective radius of curvature in the scattering plane were calculated using spline interpolation of the rocking curve peak position across the studied plates. For several selected plates, nearly flat regions with large effective radius of curvature were found (R 0 ≳ 30 - 70 m, some regions as large as 1 × 4 mm 2 ). The average width of the rocking curve for these regions was found to be about 150 μ rad (r.m.s.). These observations suggest that the selected CVD diamond plates could be used as intermediate-bandwidth monochromators refocusing the radiation source to a specific location downstream with close to 1:1 distance ratio.

36 MATERIALS SCIENCE↗
DOE OSTI2023

When Spectral Modeling Meets Convolutional Networks: A Method for Discovering Reionization-era Lensed Quasars in Multiband Imaging Data

Over the last two decades, around 300 quasars have been discovered at z ≳ 6, yet only one has been identified as being strongly gravitationally lensed. We explore a new approach—enlarging the permitted spectral parameter space, while introducing a new spatial geometry veto criterion—which is implemented via image-based deep learning. We first apply this approach to a systematic search for reionization-era lensed quasars, using data from the Dark Energy Survey, the Visible and Infrared Survey Telescope for Astronomy Hemisphere Survey, and the Wide-field Infrared Survey Explorer. Our search method consists of two main parts: (i) the preselection of the candidates, based on their spectral energy distributions (SEDs), using catalog-level photometry; and (ii) relative probability calculations of the candidates being a lens or some contaminant, utilizing a convolutional neural network (CNN) classification. The training data sets are constructed by painting deflected point-source lights over actual galaxy images, to generate realistic galaxy–quasar lens models, optimized to find systems with small image separations, i.e., Einstein radii of θ E ≤ 1''. Visual inspection is then performed for sources with CNN scores of P lens > 0.1, which leads us to obtain 36 newly selected lens candidates, which are awaiting spectroscopic confirmation. These findings show that automated SED modeling and deep learning pipelines, supported by modest human input, are a promising route for detecting strong lenses from large catalogs, which can overcome the veto limitations of primarily dropout-based SED selection approaches.

High-redshift galaxies↗