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NASA NTRS2012

Spectroscopic Chemical Analysis Methods and Apparatus

This invention relates to non-contact spectroscopic methods and apparatus for performing chemical analysis and the ideal wavelengths and sources needed for this analysis. It employs deep ultraviolet (200- to 300-nm spectral range) electron-beam-pumped wide bandgap semiconductor lasers, incoherent wide bandgap semiconductor lightemitting devices, and hollow cathode metal ion lasers. Three achieved goals for this innovation are to reduce the size (under 20 L), reduce the weight [under 100 lb (.45 kg)], and reduce the power consumption (under 100 W). This method can be used in microscope or macroscope to provide measurement of Raman and/or native fluorescence emission spectra either by point-by-point measurement, or by global imaging of emissions within specific ultraviolet spectral bands. In other embodiments, the method can be used in analytical instruments such as capillary electrophoresis, capillary electro-chromatography, high-performance liquid chromatography, flow cytometry, and related instruments for detection and identification of unknown analytes using a combination of native fluorescence and/or Raman spectroscopic methods. This design provides an electron-beampumped semiconductor radiation-producing method, or source, that can emit at a wavelength (or wavelengths) below 300 nm, e.g. in the deep ultraviolet between about 200 and 300 nm, and more preferably less than 260 nm. In some variations, the method is to produce incoherent radiation, while in other implementations it produces laser radiation. In some variations, this object is achieved by using an AlGaN emission medium, while in other implementations a diamond emission medium may be used. This instrument irradiates a sample with deep UV radiation, and then uses an improved filter for separating wavelengths to be detected. This provides a multi-stage analysis of the sample. To avoid the difficulties related to producing deep UV semiconductor sources, a pumping approach has been developed that uses ballistic electron beam injection directly into the active region of a wide bandgap semiconductor material.

Hug, William F.↗

DOE OSTI2021

Detection of Anomalies in Environmental Gamma Radiation Background with Hopfield Artificial Neural Network - Consortium on Nuclear Security Technologies (CONNECT) Q3 Report

Environmental screening of gamma radiation consists of detecting weak nuisance and anomaly signal in the presence of strong and highly varying background. In a typical scenario, a mobile detector-spectrometer continuously measures gamma radiation spectra in short, e.g., one-second, signal acquisition intervals. The measurement data is a 2D matrix, where one dimension is gamma ray energy, and the other dimension is the number of measurements or total time. In principle, gamma radiation sources can be detected and identified from the measured data by their unique spectral lines. Detecting sources from data measured in a search scenario is difficult due to the highly varying background because of naturally occurring radioactive material (NORM), and low signal-to-noise ratio (S/N) of spectral signal measured during one-second acquisition intervals. The objective of this work is to investigate performance of a Hopfield Neural Network (HNN) in in detection and identification of weak nuisances and anomalies events in the presence of a highly fluctuating background. Performance of HNN algorithm is benchmarked using search data from an environmental screening campaign. One data set contained a 137 Cs source, and another dataset contained a 131 I source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2001

Calcium-stimulated autophosphorylation site of plant chimeric calcium/calmodulin-dependent protein kinase

The existence of two molecular switches regulating plant chimeric Ca(2+)/calmodulin-dependent protein kinase (CCaMK), namely the C-terminal visinin-like domain acting as Ca(2+)-sensitive molecular switch and calmodulin binding domain acting as Ca(2+)-stimulated autophosphorylation-sensitive molecular switch, has been described (Sathyanarayanan, P. V., Cremo, C. R., and Poovaiah, B. W. (2000) J. Biol. Chem. 275, 30417-30422). Here we report the identification of Ca(2+)-stimulated autophosphorylation site of CCaMK by matrix-assisted laser desorption ionization time of flight-mass spectrometry. Thr(267) was confirmed as the Ca(2+)-stimulated autophosphorylation site by post-source decay experiments and by site-directed mutagenesis. The purified T267A mutant form of CCaMK did not show Ca(2+)-stimulated autophosphorylation, autophosphorylation-dependent variable calmodulin affinity, or Ca(2+)/calmodulin stimulation of kinase activity. Sequence comparison of CCaMK from monocotyledonous plant (lily) and dicotyledonous plant (tobacco) suggests that the autophosphorylation site is conserved. This is the first identification of a phosphorylation site specifically responding to activation by second messenger system (Ca(2+) messenger system) in plants. Homology modeling of the kinase and calmodulin binding domain of CCaMK with the crystal structure of calcium/calmodulin-dependent protein kinase 1 suggests that the Ca(2+)-stimulated autophosphorylation site is located on the surface of the kinase and far from the catalytic site. Analysis of Ca(2+)-stimulated autophosphorylation with increasing concentration of CCaMK indicates the possibility that the Ca(2+)-stimulated phosphorylation occurs by an intermolecular mechanism.

Non-NASA Center↗

DOE OSTI2016

Faint cosmos AGNs at z ∼ 3.3. I. Black hole properties and constraints on early black hole growth

We present new Keck/MOSFIRE K-band spectroscopy for a sample of 14 faint, X-ray-selected active galactic nuclei (AGNs) in the COSMOS field. The data cover the spectral region surrounding the broad Balmer emission lines, which enables the estimation of black hole masses (M{sub BH}) and accretion rates (in terms of L/L{sub Edd}). We focus on 10 AGNs at z ≃ 3.3, where we observe the Hβ spectral region, while for the other four z ≃ 2.4 sources we use the Hα broad emission line. Compared with previous detailed studies of unobscured AGNs at these high redshifts, our sources are fainter by an order of magnitude, corresponding to number densities of order ∼10{sup −6}–10{sup −5} Mpc{sup −3}. The lower AGN luminosities also allow for a robust identification of the host galaxy emission, necessary to obtain reliable intrinsic AGN luminosities, BH masses and accretion rates. We find the AGNs in our sample to be powered by supermassive black holes (SMBHs) with a typical mass of M{sub BH}≃5×10{sup 8} M{sub ⊙}—significantly lower than the higher-luminosity, rarer quasars reported in earlier studies. The accretion rates are in the range L/L{sub Edd} ∼ 0.1–0.4, with an evident lack of sources with lower L/L{sub Edd} (and higher M{sub BH}), as found in several studies of faint AGNs at intermediate redshifts. Based on the early growth expected for the SMBHs in our sample, we argue that a significant population of faint z ∼ 5−6 AGNs, with M{sub BH}∼10{sup 6} M{sub ⊙}, should be detectable in the deepest X-ray surveys available, but this is not observed. We discuss several possible explanations for the apparent absence of such a population, concluding that the most probable scenario involves an evolution in source obscuration and/or radiative efficiencies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Component Identification of Solid Biomass Fuels Using Reflected Light Microscopy: Interlaboratory Study 2

As nations transition toward sustainable energy systems, biomass has become a vital component of global energy portfolios. Derived from organic materials such as wood, agricultural residues, forestry byproducts, and organic waste, biomass is a renewable energy source with significant environmental and economic benefits. Responsible biomass energy production can improve waste management, reduce emissions of greenhouse gases, and mitigate environmental pollution. However, as the diversity of biomass-derived fuels increases, robust quality assessment methods are essential to ensure their efficiency, safety, and minimal environmental impact. Reflected light microscopy (RLM) is one such technique with the potential to complement conventional physico-chemical analyses by enabling a rapid identification of material constituents and impurities. To refine this methodology and evaluate the reproducibility of solid biomass component identification using RLM, an interlaboratory study (ILS) was conducted. The study involved the recognition of 58 components across 45 photomicrographs, with the participation of 65 scientists and students from 25 countries. The participants faced high difficulty identifying some of the marked components, and as a result, the percentage of correct answers ranged from 19.0 % to 98.3 %, with an average correct identification rate of 62.7 %. The most challenging aspects of the identification process included distinguishing between woody and non-woody (agro) biomass, accurately identifying petroleum-derived materials, and differentiating agro biomass from inorganic matter. The results suggest that while RLM is an important tool for characterizing solid biomass, further development of methodology guidelines and training are necessary to enhance its effectiveness. Future research should prioritize preparing detailed, image-rich, microscopic morphological descriptions of biomass fuel components, which could improve the accuracy and reliability of using RLM in biomass fuel characterization.

09 BIOMASS FUELS↗

DOE OSTI2024

Unified wavefront singularity characterization of three-dimensional elastodynamic time-domain half-space Green's function under impulsive boundary and internal loads

Founded on a novel analytical formulation that led to a rigorous yet compact path-integral representation of the time-domain elastodynamic half-space Green's function, a unified analysis of the possible occurrence of different singular wavefront behaviour in the response under arbitrary impulsive internal or surface point loads at arbitrary source-receiver locations is presented. With the decomposition of the general solution into distinct initiating and reflected wave group integrals that share a common factored format and simple contour definitions, the mathematical framework is shown to allow a straightforward identification of the specific conditions and the particular wave groups that are responsible for the singular wavefront phenomena without resorting to advanced analytic function theories or asymptotic methods. Analytic characterizations of the nature, strength and direction of all intrinsic singular wavefront behaviours of the three-dimensional Green's function in three canonical cases of source-receiver configurations are given in a dual integral-closed form format to facilitate their theoretical understanding as well as computational applications. Graphical illustrations of their variation with the source-receiver configuration and the medium's Poisson's ratio together with relevant comparison and clarifications of some classical treatments are included.

Green’s functions↗

DOE OSTI2021

Automated algorithms to build active galactic nucleus classifiers

ABSTRACT We present a machine learning model to classify active galactic nuclei (AGNs) and galaxies (AGN-galaxy classifier) and a model to identify type 1 (optically unabsorbed) and type 2 (optically absorbed) AGN (type 1/2 classifier). We test tree-based algorithms, using training samples built from the X-ray Multi-Mirror Mission–Newton (XMM–Newton) catalogue and the Sloan Digital Sky Survey (SDSS), with labels derived from the SDSS survey. The performance was tested making use of simulations and of cross-validation techniques. With a set of features including spectroscopic redshifts and X-ray parameters connected to source properties (e.g. fluxes and extension), as well as features related to X-ray instrumental conditions, the precision and recall for AGN identification are 94 and 93 per cent, while the type 1/2 classifier has a precision of 74 per cent and a recall of 80 per cent for type 2 AGNs. The performance obtained with photometric redshifts is very similar to that achieved with spectroscopic redshifts in both test cases, while there is a decrease in performance when excluding redshifts. Our machine learning model trained on X-ray features can accurately identify AGN in extragalactic surveys. The type 1/2 classifier has a valuable performance for type 2 AGNs, but its ability to generalize without redshifts is hampered by the limited census of absorbed AGN at high redshift.

Falocco, S. (ORCID:0000000299841103)↗

DOE OSTI2013

Advanced Small Modular Reactor (SMR) Probabilistic Risk Assessment (PRA) Technical Exchange Meeting

During FY13, the INL developed an advanced SMR PRA framework which has been described in the report Small Modular Reactor (SMR) Probabilistic Risk Assessment (PRA) Detailed Technical Framework Specification, INL/EXT-13-28974 (April 2013). In this framework, the various areas are considered: Probabilistic models to provide information specific to advanced SMRs Representation of specific SMR design issues such as having co-located modules and passive safety features Use of modern open-source and readily available analysis methods Internal and external events resulting in impacts to safety All-hazards considerations Methods to support the identification of design vulnerabilities Mechanistic and probabilistic data needs to support modeling and tools In order to describe this framework more fully and obtain feedback on the proposed approaches, the INL hosted a technical exchange meeting during August 2013. This report describes the outcomes of that meeting.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2014

Preliminary Evaluation of Removing Used Nuclear Fuel from Shutdown Sites

This report presents a preliminary evaluation of removing used nuclear fuel (UNF) from 12 shutdown nuclear power plant sites. At these shutdown sites the nuclear power reactors have been permanently shut down and the sites have been decommissioned or are undergoing decommissioning. The shutdown sites are Maine Yankee, Yankee Rowe, Connecticut Yankee, Humboldt Bay, Big Rock Point, Rancho Seco, Trojan, La Crosse, Zion, Crystal River, Kewaunee, and San Onofre. The evaluation was divided into four components: characterization of the UNF and greater-than-Class C low-level radioactive waste (GTCC waste) inventory; a description of the on-site infrastructure and conditions relevant to transportation of UNF and GTCC waste; an evaluation of the near-site transportation infrastructure and experience relevant to shipping transportation casks containing UNF and GTCC waste, including identification of gaps in information; and, an evaluation of the actions necessary to prepare for and remove UNF and GTCC waste. The primary sources for the inventory of UNF and GTCC waste are the U.S. Department of Energy (DOE) RW-859 used nuclear fuel inventory database, industry sources such as StoreFUEL and SpentFUEL, and government sources such as the U.S. Nuclear Regulatory Commission. The primary sources for information on the conditions of site and near-site transportation infrastructure and experience included observations and information collected during visits to the Maine Yankee, Yankee Rowe, Connecticut Yankee, Humboldt Bay, Big Rock Point, Rancho Seco, Trojan, La Crosse, and Zion sites; information provided by managers at the shutdown sites; Facility Interface Data Sheets compiled for DOE in 2005; Services Planning Documents prepared for DOE in 1993 and 1994; industry publications such as Radwaste Solutions; and Google Earth. State and Regional Group representatives, a Tribal representative, and a Federal Railroad Administration representative participated in six of the shutdown site visits. Every site was found to have at least one off-site transportation mode option for removing its UNF and GTCC waste; some have multiple options. Experience removing large components during reactor decommissioning provided an important source of information used to identify the transportation mode options for the sites. Especially important in conducting the evaluation were site visits, through which information was obtained that would not have been available otherwise. Extensive photographs taken during the site visits proved to be particularly useful in documenting the current conditions at or near the sites. Additional conclusions from this evaluation include: The 12 shutdown sites use designs from 4 different suppliers involving 9 different (horizontal and vertical) dry storage systems that would require the use of 8 different transportation cask designs to remove the UNF and GTCC waste from the shutdown sites; Although there are common aspects, each site has some unique features and/or conditions; Although some regulatory actions will be required, all UNF at the initial 9 shutdown sites (Maine Yankee, Yankee Rowe, Connecticut Yankee, Humboldt Bay, Big Rock Point, Rancho Seco, Trojan, La Crosse, and Zion) is in licensed systems that can be transported, including a small amount of high-burnup fuel; Each site indicated that 2-3 years of advance time would be required for its preparations before shipments could begin; Most sites have more than one transportation option, e.g., rail, barge, or heavy haul truck, as well as constraints and preferences. It is expected that additional site visits will be conducted to add to the information presented in the evaluation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Preliminary Assessment of Elemental Analysis of X-Ray Fluorescence with Genetic Algorithm

X-ray fluorescence (XRF) spectroscopy is a promising approach to elemental analysis of forensic samples. Elements in the mixture can be identified from the XRF data because chemical elements are associated with unique spectra. This report consists of preliminary assessment of automated identification of unknown mixtures of elements from XRF spectra using a genetic algorithm (GA). The XRF spectra are measured at the Advanced Photon Source (APS) at the liquid-liquid interface during solvent extraction process. Possible advantages of using GA for identifying elements at the interface from XRF data are discussed, and a path for implementation of GA is outlined.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Progress in Genetic Algorithm Fitting of X-Ray Fluorescence Data for Absorption Spectroscopy of Liquid Surfaces

X-ray fluorescence (XRF) spectroscopy of liquid surfaces is a promising approach to elemental analysis of forensic samples. Elements in the mixture can be identified from the XRF data because chemical elements are associated with unique spectra. This report describes progress in the development of automated identification of unknown mixtures of elements from XRF spectra using a genetic algorithm (GA). The XRF spectra are measured at the Advanced Photon Source (APS) at the liquid-liquid interface during solvent extraction process. The usage of the GA is demonstrated and future implementation for related problems are then discussed.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Metrics and Methods for Radiation Detection Algorithm Characterization for Nuclear/Radiological Source Search

This report presents a series of recommendations for data to train and evaluate radiation detection algorithms and performance metrics to evaluate these algorithms. These recommendations were formed through a community consensus approach through the Detection Radiation Algorithms Group (DRAG), a multi-institution collaboration spanning eight Department of Energy laboratories and John Hopkins Applied Physics Laboratory. This report includes recommendations on background data variability, and metrics to quantify variability, sources and shielding configurations to include in data collection campaigns and detector response variability. In addition, this report describes several anomaly detection and identification algorithms and recommends metrics to report their performance. Finally, this report ends with a discussion on machine learning algorithms.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2019

Recent Advances on Carrier and Exciton Self-Trapping in Strontium Titanate: Understanding the Luminescence Emissions

An up-to-date review on recent results for self-trapping of free electrons and holes, as well as excitons, in strontium titanate (STO), which gives rise to small polarons and self-trapped excitons (STEs) is presented. Special attention is paid to the role of carrier and exciton self-trapping on the luminescence emissions under a variety of excitation sources with special emphasis on experiments with laser pulses and energetic ion-beams. In spite of the extensive research effort, a definitive identification of such localized states, as well as a suitable understanding of their operative light emission mechanisms, has remained lacking or controversial. However, promising advances have been recently achieved and are the objective of the present review. In particular, significant theoretical advances in the understanding of electron and hole self-trapping are discussed. Also, relevant experimental advances in the kinetics of light emission associated with electron-hole recombination have been obtained through time-resolved experiments using picosecond (ps) laser pulses. The luminescence emission mechanisms and the light decay processes from the self-trapped excitons are also reviewed. Recent results suggest that the blue emission at 2.8 eV, often associated with oxygen vacancies, is related to a transition from unbound conduction levels to the ground singlet state of the STE. The stabilization of small electron polarons by oxygen vacancies and its connection with luminescence emission are discussed in detail. Through ion-beam irradiation experiments, it has recently been established that the electrons associated with the vacancy constitute electron polaron states (Ti 3+ ) trapped in the close vicinity of the empty oxygen sites. These experimental results have allowed for the optical identification of the oxygen vacancy center through a red luminescence emission centered at 2.0 eV. Ab-initio calculations have provided strong support for those experimental findings. Finally, the use of Cr-doped STO has offered a way to monitor the interplay between the chromium centers and oxygen vacancies as trapping sites for the electron and hole partners resulting from the electronic excitation.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Potent Antiviral Activity against HSV-1 and SARS-CoV-2 by Antimicrobial Peptoids

Viral infections, such as those caused by Herpes Simplex Virus-1 (HSV-1) and SARS-CoV-2, affect millions of people each year. However, there are few antiviral drugs that can effectively treat these infections. The standard approach in the development of antiviral drugs involves the identification of a unique viral target, followed by the design of an agent that addresses that target. Antimicrobial peptides (AMPs) represent a novel source of potential antiviral drugs. AMPs have been shown to inactivate numerous different enveloped viruses through the disruption of their viral envelopes. However, the clinical development of AMPs as antimicrobial therapeutics has been hampered by a number of factors, especially their enzymatically labile structure as peptides. We have examined the antiviral potential of peptoid mimics of AMPs (sequence-specific N-substituted glycine oligomers). These peptoids have the distinct advantage of being insensitive to proteases, and also exhibit increased bioavailability and stability. Our results demonstrate that several peptoids exhibit potent in vitro antiviral activity against both HSV-1 and SARS-CoV-2 when incubated prior to infection. In other words, they have a direct effect on the viral structure, which appears to render the viral particles non-infective. Visualization by cryo-EM shows viral envelope disruption similar to what has been observed with AMP activity against other viruses. Furthermore, we observed no cytotoxicity against primary cultures of oral epithelial cells. These results suggest a common or biomimetic mechanism, possibly due to the differences between the phospholipid head group makeup of viral envelopes and host cell membranes, thus underscoring the potential of this class of molecules as safe and effective broad-spectrum antiviral agents. We discuss how and why differing molecular features between 10 peptoid candidates may affect both antiviral activity and selectivity.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Star Formation Activity Beyond the Outer Arm. I. WISE -selected Candidate Star-forming Regions

The outer Galaxy beyond the Outer Arm provides a good opportunity to study star formation in an environment significantly different from that in the solar neighborhood. However, star-forming regions in the outer Galaxy have never been comprehensively studied or cataloged because of the difficulties in detecting them at such large distances. We studied 33 known young star-forming regions associated with 13 molecular clouds at R {sub G} ≥ 13.5 kpc in the outer Galaxy with data from the Wide-field Infrared Survey Explorer ( WISE ) mid-infrared all-sky survey. From their color distribution, we developed a simple identification criterion of star-forming regions in the outer Galaxy with the WISE color. We applied the criterion to all the WISE sources in the molecular clouds in the outer Galaxy at R {sub G} ≥ 13.5 kpc detected with the Five College Radio Astronomy Observatory (FCRAO) {sup 12}CO survey of the outer Galaxy, of which the survey region is 102.°49 ≤ l ≤ 141.°54, −3.°03 ≤ b ≤ 5.°41, and successfully identified 711 new candidate star-forming regions in 240 molecular clouds. The large number of samples enables us to perform the statistical study of star formation properties in the outer Galaxy for the first time. This study is crucial to investigate the fundamental star formation properties, including star formation rate, star formation efficiency, and initial mass function, in a primordial environment such as the early phase of the Galaxy formation.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1974

Cosmic ray charge composition /Z smaller than or equal to 28/

In the light of recent research results, the composition of low-, medium-, and high-energy cosmic ray charges is reviewed, and its energy dependence is examined. Cosmic ray antinuclei research is summarized, and it is shown that no positive identification of primary antimatter has so far been achieved. Special attention is given to the relative abundances of cosmic ray charges at the source, and the difficulties encountered in the extrapolation of experimental abundances back to the source are reviewed, along with some of the attempts made to circumvent these difficulties. Recent discussions and the present status of hypotheses on modification of the source composition by injection and acceleration processes are also reviewed.

Garcia-Munoz, M.↗

NASA NTRS1980

An evaluation of satellite data for estimating the area of small forestland in the southern lower peninsula of Michigan

A winter black and white band 5, a winter color, a fall color, and a diazo color composite of the fall scene were used to assess the use and potential of LANDSAT images for mapping and estimating acreage of small scattered forest tracts in Barry County, Michigan. Forests as small as 2.5 acres were mapped from each LANDSAT data source. The maps for each image were compared with an available forest-type map. Mapping errors detected were categorized as boundary and identification errors. The most frequently misclassified areas were agriculture lands, treed-bogs, brushlands and lowland and mixed hardwood stands. Stocking level affected interpretation more than stand size. The overall level of the interpretation performance was expressed through the estimation of classification, interpretation, and mapping accuracies. These accuracies ranged from 74 between 74% and 98%. Considering errors, accuracy, and cost, winter color imagery is the best LANDSAT alternative for mapping small forest tracts. However, since the availability of cloud-free winter images of the study area is significantly lower than images for other seasons, a diazo enhanced image of a fall scene is recommended as the best next best alternative.

Karteris, M. A.↗

NASA NTRS1988

Radio observations in the fields of COS-B gamma ray sources. IV - First quadrant sources

The field of five COS-B gamma-ray sources in the first galactic quadrant have been mapped using the Effelsberg radio telescope at several frequencies. Candidate objects as potential radio counterparts of gamma-ray sources are discussed in the light of current observations; however, mostly being due to the crowded nature of the radio fields, no clear identification has been possible.

Ozel, M. E.↗