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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spectral Data Fusion From Handheld Laser-Induced Breakdown Spectroscopy (LIBS) and X-ray Fluorescence (XRF) Analyzers for Improved Detection of Cerium in a Simulated Dispersal Accident

Here, this work implements a mid-level data fusion methodology on spectral data from handheld X-ray fluorescence and laser-induced breakdown spectroscopy analyzers to quantify plutonium surrogate (CeO 2 ) contamination in soil samples for the first time. Spectral data from each analyzer were used independently to train supervised machine learning regressions to predict Ce concentration. Fused features from both data sets were then used to train the same models, comparing prediction performance by evaluating model precision and sensitivity. Fusing principal component scores from the two sensors yielded an order of magnitude improvement in precision and sensitivity of predictions made with an artificial neural network, compared to predictions made by models trained on independent sensor data. As a result, a boosted ensemble trained on the fused spectral features yielded an ideal predictor with root-mean-squared error on the order of 10 –6 and calculated limit of detection order 10 –5 wt %.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Modeling Reference Cell Performance Using Measured and Modeled Spectral Data

The performance of several silicon-based reference cells is examined under clear skies on a horizontal and two-axis tracking surface during the winter of 2022. The ratio of the calculated reference cell output to the measured reference cell output is examined. For each reference cell, when using the measured spectral data, the ratio of the estimated to measured output varies by less than +/-0.6% at the P95 level. The analysis was also done using modeled spectral values obtained from the Bird spectrl2 model. The ratio between the estimated reference cell output using the modeled spectral values to the measured reference cell output varies by +/-1.1% at the P95 level.

angle of incidence↗
DOE OSTI2025

Prediction of electric and magnetic fields from spectral data using machine learning algorithms for Doppler-free saturation spectroscopy diagnostics

The prediction of electric and magnetic field amplitudes from atomic spectral data is critical for plasma control in fusion devices such as tokamaks. Conventional approaches that rely on physics-based models are computationally expensive and unsuitable for real-time applications. In this work, we develop and benchmark three machine learning algorithms—simulation-based inference (SBI), fully connected neural networks (FCNN), and histogram-based gradient boosting regression (GBR-Hist)—to infer field intensities directly from Doppler-free saturation spectroscopy (DFSS) spectra. Synthetic datasets of spectra were generated using the EZSSS code and evaluated both with and without added Poisson noise to mimic experimental conditions. We find that SBI achieves the highest accuracy and robustness, FCNN provides a strong balance of accuracy and computational efficiency for real-time applications, and GBR-Hist offers the fastest inference but is more sensitive to noise. Furthermore, these results demonstrate the potential of machine learning to accelerate DFSS analysis and enhance its utility for plasma diagnostics and control.

Doppler-free saturation spectroscopy↗
DOE OSTI2025

ToF-SIMS spectral data analysis of Paenibacillus sp. 300A biofilms and planktonic cells

Analysis of bacterial biofilms is particularly challenging and important with diverse applications from systems biology to biotechnology. Among the variety of techniques that have been applied, time-of-flight secondary ion mass spectrometry (ToF-SIMS) has many promising features in studying the surface characteristics of biofilms. ToF-SIMS offers high spatial resolution and high mass accuracy, which permit surface sensitive analysis of biofilm components. Thus, ToF-SIMS provides a powerful solution to addressing the challenge of bacterial biofilm analysis. This dataset covers ToF-SIMS analysis of Paenibacillus sp. 300A (300A) isolated from the Hanford site in Richland, WA. The strain is known to have metal and sulfur reducing properties and can be used for bioremediation, wastewater treatment, bioengineering and technology development. There is a current need to identify small molecules and fragments produced from bacterial biofilms. Static ToF-SIMS spectra of 300A were obtained using an IONTOF TOF-SIMS V instrument equipped with a 25 keV Bi 3 + metal ion gun. Identified molecules and molecular fragments are compared against known biological databases and the reported peaks have at least 65 ppm mass accuracy. These molecules range from lipids and fatty acids to flavonoids, quinolones, and other naturally occurring organic compounds. It is anticipated that the spectral identification of key peaks will assist detection of metabolites, extracellular polymeric substance molecules like polysaccharides, and biologically relevant small molecules using ToF-SIMS in future surface and interface research of bacterial biofilms.

Biofilms↗
DOE OSTI2025

Derivation of at-birth neutron energy distribution of americium-beryllium source based on ISO8529 spectral data

In many practical applications, the accuracy of neutron transport calculations depends on an estimate of the energy distribution provided in the source definition. While the energy distribution of neutrons emitted by spontaneous fission sources is well-defined, the spectra of neutrons produced in (α,n) reactions in compound mixtures, such as americium-beryllium (AmBe), depend on the microstructural properties of the source material, which may vary. Although the energy of neutrons produced in nuclear reactions can be calculated from first principles, such computations require detailed knowledge of the key characteristics of the source material, which are often unknown. Here, this study focuses on deriving the at-birth neutron energy distribution for an AmBe source by applying reverse transport calculations to the externally measured high-precision spectrum recommended in the latest revision of the international standard. The derived at-birth spectrum was validated through indirect energy-sensitive neutron emission rate measurements of AmBe sources calibrated at national primary metrology institutions. The resulting at-birth neutron energy distribution serves as essential input data for radiation transport modeling, providing a validated spectrum for broader experimental and computational applications.

AmBe↗
DOE OSTI2025

Acquisition of absorption and fluorescence spectral data using chatbots

Spectra – the lifeblood of photochemistry – have been very difficult to find in the literature. Chatbots, remarkably, may enable their more efficient acquisition and prove to be generally powerful tools for searching the scientific literature.

Taniguchi, Masahiko [Department of Chemistry, Nort↗
DOE OSTI2026

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Co-Polarization Mode (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross Mode (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

W-Band ARM Scanning Cloud Radar (WSACR) 2nd Generation CF-Radial Spectral Data, Vertically-Pointing Scan, Cross-Polarization Model (a1)

ARM's scanning cloud radars are fully coherent dual-frequency, dual-polarization Doppler radars mounted on a common scanning pedestal. Each pedestal includes a Ka-band radar (2kW peak power) and the deployment location determines whether the second radar is a W-band (WSACR; 1.7 kW peak power) or X-band (XSACR; 20 kW peak power). Beamwidths at Ka and W bands are roughly matched at 0.3 degrees. Due to the narrow antenna beamwidth, ARM’s scanning cloud radars use scanning strategies that are unlike typical weather radars. Rather than focusing on plan position indicator, or PPI, scans, the Ka-SACR uses range height indicator, or RHI, scans at numerous azimuths to obtain cloud volume data. Measurements collected with the W-SACR are copolar and cross-polar radar reflectivity, Doppler velocity, spectra width and spectra when not scanning, and linear depolarization ration.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Detection of multi-modal Doppler spectra – Part 1: Establishing characteristic signals in radar moment data

Vertically pointing millimeter-wavelength radars provide a wealth of information about cloud and precipitation particle properties. Doppler spectral data can inform on how particles of varying vertical velocities contribute to the total backscattered power observed. It is more computationally cost effective to process moment data instead of spectra data, but doing so leaves valuable information on the cutting room floor. To confidently identify a multi-modal spectra event, in which two or more modes are present within a layer, Doppler spectral data are essential. This means long-term identification of layers featuring multi-modal spectra can be cost prohibitive. To address this, we explore three multi-modal spectra cases from winter precipitation events to determine characteristic signatures of these layers in the moment data averaged over short time periods (∼ 145 s) and explore how these layers differ from the rest of the vertical profiles. We find that the mean spectrum width and the standard deviation of mean Doppler velocity can be used to determine whether or not a layer is multi-modal. In particular, multi-modal layers in mixed-phase and ice clouds feature larger mean spectrum width (exceeding 0.17 m s −1 ) and smaller standard deviation of the mean Doppler velocity (below 0.1 m s −1 ). In Part 1 of this study, the identification criteria and methods are described. In Part 2 (Wugofski and Kumjian, 2025), we perform a verification of the method for three years of vertically pointing radar data, and explore the meteorological conditions associated with identified multi-modal spectral events.

Wugofski, Sarah [Pennsylvania State Univ., Univers↗
DOE OSTI2024

Canopy reflectance spectroscopy, thermal images and digital photographs, San Lorenzo, Panama, 2020

This data package comprises reflectance spectra, thermal and visible images of top of canopy tree crowns at the San Lorenzo Protected Area, Panama. Data were collected using the Smithsonian Tropical Research Institute (STRI) canopy access crane, from positions approximately 4 m above the target tree canopy. Canopy reflectance spectra were collected using an HR-1024i full range spectroradiometer (350–2500 nm, SVC, Poughkeepsie, NY, USA) with a 14-degree lens. Canopy thermal images were captured using an 8640-S series USB Calibrated Thermal Camera (ICI International, Beaumont, TX, USA). Visible images were collected using an AW130 waterproof/shockproof camera (Nikon, Tokyo, Japan). Data were collected on three days, on 16 canopies from 10 tree species. On both January 30, 2020, and February 27, 2020, we collected spectra at three time points, in the morning, midday, and afternoon. On February 18, 2020, we collected data around midday only. Due to technical issues, digital photography was collected on 30 January only. This dataset includes unprocessed data only, including spectral data (.sig or .sed), thermal images (.i16), and photographs (.raw), a detailed method description (.pdf), species information (.csv) and ESS-DIVE file-level metadata (FLMD.csv).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Database of low‐temperature absorption and fluorescence spectra of native photosynthetic tetrapyrrole macrocycles

Low-temperature (77 K) absorption and fluorescence spectra of 12 naturally occurring photosynthetic tetrapyrrole macrocycles have been recorded in a frozen glass (2-methyltetrahydrofuran). The compounds encompass distinct chromophore classes: porphyrin, chlorophyll c 2 ; chlorin, chlorophylls a, b, d, f and bacteriochlorophylls c, d, e, f; and bacteriochlorin, bacteriochlorophylls a, b, g. The spectra are compared with those of the same pigment in liquid solution (predominantly 2-methyltetrahydrofuran) at room temperature (293 K). The measured Stokes shifts at 77 K across the 12 macrocycles range from ~30 to 300 cm −1 . The spectral data in digital form are made available as part of the PhotochemCAD databases. Literature searches have revealed extensive published data for Chl a (often in biological matrices) but at best rather limited data for less common macrocycles. The availability of a systematic collection of curated spectral data collected at low temperature should be useful for a variety of assessments, including reconstruction of absorption spectra of (bacterio)chlorophyll-containing protein complexes, vibrational analysis of absorption and fluorescence spectra, and calculations where knowledge of energy levels is important.

Niedzwiedzki, Dariusz M. [Washington University in↗
DOE OSTI2023

IDB Data Loader

The International Database of Reference Gamma-Ray Spectra of Various Nuclear Matter is designed to hold curated gamma spectral data and will be hosted by the International Atomic Energy Agency on its public facing web site. Currently, the database to be hosted is given to the International Atomic Energy Agency by Sandia. This document describes the application used by Sandia to load spectral data into a database.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

IDB Loader

SAND2024-08428O The IDB Loader is a database designed to hold gamma spectra. IDB is a web-accessible database of reference gamma spectra for measuring uranium (U) and plutonium (Pu) isotopic composition. The database, developed by the International Atomic Energy Agency (IAEA), provides access to well-characterized groups of gamma spectra curated by international experts in gamma spectroscopy. It was created to promote sustainability and maintenance of software used to determine the isotopic abundances of U and Pu. The IDB Loader works by uploading one set of spectral data into an existing IDB. The Data Loader package includes documentation describing the IDB's table, the format of the spectral data, and a description of the loader program. The IDB is currently hosted by the IAEA at: https://nds.iaea.org/idb Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Schwartz, Steven↗
DOE OSTI2024

IDB Database Tables

The International Database of Reference Gamma-Ray Spectra of Various Nuclear Matter is designed to hold curated gamma spectral data is hosted by the International Atomic Energy Agency on its public facing web site. The database used to hold the spectral data was designed by Sandia National Labs under the auspices of the State Department’s Support Program. This document describes the tables and entity relationships that make up the database.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗