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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The Natural Products Magnetic Resonance Database (NP-MRD) for 2025

The Natural Products Magnetic Resonance Database or NP-MRD (https://np-mrd.org) is a comprehensive, freely accessible, web-based resource for the deposition, distribution, extraction and retrieval of nuclear magnetic resonance (NMR) data on natural products. The NP-MRD was initially established to support compound de-replication and data dissemination for the natural products community. However, that community has now grown to include many users from the metabolomics, microbiomics, foodomics and nutrition science fields. Indeed, since its launch in 2021, the NP-MRD has expanded enormously in size, scope and popularity. The current version of NP-MRD now contains nearly 7X more compounds (281,859 vs. 40,908) and 7X more NMR spectra (5.1 million vs. 817,000) than the first release. More specifically, an additional 4.6 million predicted spectra and another 11,000 spectra simulated from experimental chemical shifts were deposited into the database. Likewise, the number of NMR raw spectral data depositions has grown from a 165 spectra per year to more than 10,000 per year. As a result of this expansion, the number of monthly webpage views has grown from 55 to 20,000 and the number of monthly visitors has increased from 7 to 2500. To address this growth and to better support the expanding needs of its diverse community of users, many additional improvements to the NP-MRD have been made. These include significant enhancements to the data submission process, important improvements to the visualization and display of NMR spectra, notable updates to the database’s spectral search utilities and useful additions to support better NMR spectral analysis/prediction. Significant efforts have also been undertaken to remediate and update many of NP-MRD’s database entries. This manuscript describes these database improvements and expansion efforts, along with how they have been implemented and what future upgrades to the NP-MRD are planned.

Artifical Intelligence↗
NASA NTRS1994

An iron absorption model of gamma-ray burst spectra

Most gamma-ray bursts (GRBs) exhibit deficits of X-rays below approximately 200 keV. Here we consider a spectral model in which the burst source is shielded by an optically thick layer of circumburster material (CBM) rich in iron-group elements whose photoelectric absorption opacity exceeds the Thomson opacity below approximately 120 keV. For power-law distributions of absorption depths along the lines of sight the absorbed spectrum can indeed mimic the typial GRB spectrum. This model predicts that (a) the spectrum should evolve monotonically from hard to soft during each energy release, which is observed in most bursts, especially in fast rise exponential decay bursts; (b) Fe spectral features near 7 keV may be present in some bursts; and (c) the ratio of burst distances to the CBM and to Earth should be approximately 10(exp -11) if the spectral evolution is purely due to Fe stripping by the photons.

Liang, Edison P.↗
NASA NTRS1993

Simulation of UV atomic radiation for application in exhaust plume spectrometry

Quantitative analysis of exhaust plume spectral data has long been a goal of developers of advanced engine health monitoring systems which incorporate optical measurements of rocket exhaust constituents. Discussed herein is the status of present efforts to model and predict atomic radiation spectra and infer free-atom densities from emission/absorption measurements as part of the Optical Plume Anomaly Detection (OPAD) program at Marshall Space Flight Center (MSFC). A brief examination of the mathematical formalism is provided in the context of predicting radiation from the Mach disk region of the SSME exhaust flow at nominal conditions during ground level testing at MSFC. Computational results are provided for Chromium and Copper at selected transitions which indicate a strong dependence upon broadening parameter values determining the absorption-emission line shape. Representative plots of recent spectral data from the Stennis Space Center (SSC) Diagnostic Test Facility (DTF) rocket engine are presented and compared to numerical results from the present self-absorbing model; a comprehensive quantitative analysis will be reported at a later date.

Wallace, T. L.↗
NASA NTRS1997

Nonlinear Spectral Mixture Modeling of Lunar Multispectral: Implications for Lateral Transport

Linear and nonlinear spectral mixture models applied to Clementine multispectral images of the Moon result in roughly similar spatial distributions of endmember abundances. However, there are important differences in the absolute values of the predicted abundances. The magnitude of these differences and the implications for understanding geological processes are investigated across a geologic contact between mare and highland in the Grimaldi Basin on the western nearside of the Moon. Vertical and lateral mass transport due to impact cratering has redistributed mare and highland materials across the contact, creating a gradient in composition. Solutions to linear and nonlinear spectral mixture models for identical spectral endmembers of mare, highland, and fresh crater materials are compared across this simple geologic contact in the Grimaldi Basin. Profiles of mare abundance across the contact are extracted and compared quantitatively. Profiles from the linear mixture models indicate that the geologic contact has an average mare abundance of 60%, and the compositional boundary is asymmetric with more mare transported onto the highland side of the contact than highland onto the mare side of the contact. In contrast the nonlinear abundance profiles indicate that the geologic contact has an average mare abundance of 50%, and the compositional boundary is remarkably symmetric. Given the expectation that materials will be intimately mixed on the surface of the Moon, and that the asymmetries implied by the linear model are not consistent with our understanding of lunar surface processes, the nonlinear spectral mixture model is preferred and should be applied whenever quantitative abundance information is required. The remarkable symmetry in the compositional gradients across this contact indicate that lateral mass transport dominates over vertical transport at this boundary.

Mustard, John F.↗
NASA NTRS2011

Hyperspectral Mapping of the Invasive Species Pepperweed and the Development of a Habitat Suitability Model

Mapping and predicting the spatial distribution of invasive plant species is central to habitat management, however difficult to implement at landscape and regional scales. Remote sensing techniques can reduce the impact field campaigns have on these ecologically sensitive areas and can provide a regional and multi-temporal view of invasive species spread. Invasive perennial pepperweed (Lepidium latifolium) is now widespread in fragmented estuaries of the South San Francisco Bay, and is shown to degrade native vegetation in estuaries and adjacent habitats, thereby reducing forage and shelter for wildlife. The purpose of this study is to map the present distribution of pepperweed in estuarine areas of the South San Francisco Bay Salt Pond Restoration Project (Alviso, CA), and create a habitat suitability model to predict future spread. Pepperweed reflectance data were collected in-situ with a GER 1500 spectroradiometer along with 88 corresponding pepperweed presence and absence points used for building the statistical models. The spectral angle mapper (SAM) classification algorithm was used to distinguish the reflectance spectrum of pepperweed and map its distribution using an image from EO-1 Hyperion. To map pepperweed, we performed a supervised classification on an ASTER image with a resulting classification accuracy of 71.8%. We generated a weighted overlay analysis model within a geographic information system (GIS) framework to predict areas in the study site most susceptible to pepperweed colonization. Variables for the model included propensity for disturbance, status of pond restoration, proximity to water channels, and terrain curvature. A Generalized Additive Model (GAM) was also used to generate a probability map and investigate the statistical probability that each variable contributed to predict pepperweed spread. Results from the GAM revealed distance to channels, distance to ponds and curvature were statistically significant (p < 0.01) in determining the locations of suitable pepperweed habitats.

Pepperweed↗
DOE OSTI2026

Quantifying Temperature Dependence of Pu(IV) Absorbance Spectra for Advanced Online Monitoring of Nuclear Processes

This article presents a systematic study of Pu(IV) absorbance spectral features as a function of temperature to develop an understanding of this parameter’s effect on chemometric models that can be used as online monitoring tools to support nuclear processing. The descriptive and predictive models that provide real-time feedback of these processes are usually constructed with data collected in conditions typical of a laboratory environment, which can differ drastically from a processing environment. To assess the impact of temperature on Pu(IV) absorbance spectra, 11 samples of Pu(IV) were synthesized with varying HNO 3 concentrations ranging from 0.6 to 9.5 M and heated between 15 and 45 °C. Ultraviolet (UV)–visible (vis)–near-infrared (NIR) absorption spectra collected at different HNO 3 concentrations and temperatures revealed that features associated with Pu(IV) are sensitive to temperature at all HNO 3 concentrations and that changes in features depend on HNO 3 concentration. The contributions of temperature and HNO 3 concentration to variation in Pu(IV) spectral features were evaluated using the principal component analysis of spectra that were baseline-corrected with an asymmetric least-squares method. Furthermore, predictive modeling for HNO 3 concentration with partial least-squares regression of UV–vis–NIR spectra highlighted the importance of accounting for temperature in the calibration set to optimize model performance. This methodology constitutes a new, systematic approach to account for the effect of temperature on the absorption spectra of metal ions and is useful for process monitoring applications in many industries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Micrometoric Impact Effects: Peak Pressure versus Spectral Variation

At the Experimental Impact Laboratory at NASA Johnson Space Center, we have investigated the surface properties of asteroids caused by collisions in the mid-infrared (2.5 to 16 microns) by impacting forsterite and enstatite across a range of velocities (as predicted by the Nice Model) and at varying temperatures. The crystal structure in these minerals can be deformed by the shock wave from the impact as well as sheared into smaller particle sizes. Our current focus is on the differing effects between 2.3 and 2.6 km/sec, as well as the differences between a cold sample at -20C and a room temperature sample at 25C. We find that the spectral variation and crystal deformation varies non-linearly with the peak shock pressure.

Jensen, Elizabeth↗
NASA NTRSDate not supplied

Comparison of Two Community Noise Models Applied to a NASA Urban Air Mobility Concept Vehicle

Predictions of community noise exposure from a NASA urban air mobility (UAM) concept vehicle have been conducted for representative operations using the FAA Aviation Environmental Design Tool (AEDT) in order to demonstrate modeling tool interoperability and assess applicability, capabilities and limitations of integrated noise modeling tools. To both quantify limitations and highlight other capabilities, a comparative analysis is performed using a time-domain simulation method, in particular, using the Volpe Advanced Acoustic Model (AAM). Using the same source noise model, the 3D directivity of a UAM concept vehicle is predicted in terms of aeroacoustic pressure time histories at a sphere of observer positions near the vehicle. In addition to distilling those data to a set of noise-power-distance data for input to AEDT, the data are processed preserving spectral directivity, into one-third and one-twelfth octave bands for input to AAM. Results from AEDT and AAM modeling are provided for a variety of metrics to demonstrate the effect that source noise directivity and propagation modeling fidelity have on predicted results at receptors over a study area.

urban air mobility↗
NASA NTRSDate not supplied

Comparison of Two Community Noise Models Applied to a NASA Urban Air Mobility Concept Vehicle

Predictions of community noise exposure from a NASA urban air mobility (UAM) concept vehicle have been conducted for representative operations using the FAA Aviation Environmental Design Tool (AEDT) in order to demonstrate modeling tool interoperability and assess applicability, capabilities and limitations of integrated noise modeling tools. To both quantify limitations and highlight other capabilities, a comparative analysis is performed using a time-domain simulation method, in particular, using the Volpe Advanced Acoustic Model (AAM). Using the same source noise model, the 3D directivity of a UAM concept vehicle is predicted in terms of aeroacoustic pressure time histories at a sphere of observer positions near the vehicle. In addition to distilling those data to a set of noise-power-distance data for input to AEDT, the data are processed preserving spectral directivity, into one-third and one-twelfth octave bands for input to AAM. Results from AEDT and AAM modeling are provided for a variety of metrics to demonstrate the effect that source noise directivity and propagation modeling fidelity have on predicted results at receptors over a study area.

urban air mobility↗
DOE OSTI2024

Deep learning-driven super-resolution in Raman hyperspectral imaging: Efficient high-resolution reconstruction from low-resolution data

Deep learning (DL) has become an indispensable tool in hyperspectral data analysis, automatically extracting valuable features from complex, high-dimensional datasets. Super-resolution reconstruction, an essential aspect of hyperspectral data, involves enhancing spatial resolution, particularly relevant to low-resolution hyperspectral data. Yet, the pursuit of super-resolution in hyperspectral analysis is fraught with challenges, including acquiring ground truth high-resolution data for training, generalization, and scalability. The pressing issue of extended spectral acquisition times, notably for high-resolution scans, is a significant roadblock in hyperspectral imaging. Super-resolution methods offer a promising solution by providing higher spatial resolution data to expedite data collection and yield more efficient outcomes. This paper delves into a practical application of these concepts using Raman imaging, where spectral acquisition times can be prohibitively long. In this context, DL-based super-resolution models demonstrate their efficacy by predicting and reconstructing high-resolution Raman data from low-resolution input, eliminating the need for resource-intensive high-resolution scans. While previous work often relied on substantial high-resolution datasets, this study showcases the ability to achieve similar outcomes even with limited data, presenting a more practical and cost-effective approach. In conclusion, the results offer a glimpse into the transformative potential of this technology to streamline hyperspectral imaging applications by saving valuable time and resources through the successful generation of high-resolution data from low-resolution inputs.

42 ENGINEERING↗
DOE OSTI2022

Six-Body and Eight-Body Exciton States in Monolayer WSe 2

In the archetypal monolayer semiconductor WSe 2 , the distinct ordering of spin-polarized valleys (low-energy pockets) in the conduction band allows for studies of not only simple neutral excitons and charged excitons (i.e., trions), but also more complex many-body states that are predicted at higher electron densities. We discuss magneto-optical measurements of electron-rich WSe 2 monolayers and interpret the spectral lines that emerge at high electron doping as optical transitions of six-body exciton states (“hexcitons”) and eight-body exciton states (“oxcitons”). Additionally, these many-body states emerge when a photoexcited electron-hole pair interacts simultaneously with multiple Fermi seas, each having distinguishable spin and valley quantum numbers. In addition, we explain the relations between dark trions and satellite optical transitions of hexcitons in the photoluminescence spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Simulation Study of Monoenergetic Photon Source LiDAR System Performance for Emergency Response Applications

The following report summarizes the results of a Monte Carlo simulation and modeling study of the Lawrence Berkeley National Laboratory’s (LBL) Monoenergetic Photon Source (MPS) as part of a high-energy LiDAR system for use in emergency response applications. A set of image quality indicators (IQI) and nonsensitive phantoms or generalized surrogates for search targets have been identified for use in the planned measurement campaign at the Berkeley Lab Laser Accelerator (BELLA) Center toward the end FY2023. These items were modeled and the time-of-flight (TOF) spectral responses following irradiation were calculated for a set of varying operating conditions. The goal of this study was to both predict the LiDAR system performance as well as determine if minor modifications to the IQI and phantom designs were required before fabrication. It was found that the IQI and target designs both overlap and extend towards the limit of performance of the system and are thus suitable for the final project measurement campaign.

43 - PARTICLE ACCELERATORS↗
DOE OSTI2021

Spin and Accretion Rate Dependence of Black Hole X-Ray Spectra

We present a survey of how the spectral features of black hole X-ray binary systems depend on spin, accretion rate, viewing angle, and Fe abundance when predicted on the basis of first-principles physical calculations. The power-law component hardens with increasing spin. The thermal component strengthens with increasing accretion rate. The Compton bump is enhanced by higher accretion rate and lower spin. The Fe Kα equivalent width grows sublinearly with Fe abundance. Strikingly, the Kα profile is more sensitive to accretion rate than to spin because its radial surface brightness profile is relatively flat, and higher accretion rate extends the production region to smaller radii. The overall radiative efficiency is at least 30%–100% greater than as predicted by the Novikov–Thorne model.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

Optimum design of antireflection coating for silicon solar cells

Based on classical electromagnetic theory, reflectivity calculations for various single and double optical coating systems for silicon solar cells are presented. From calculations and considerations of solar spectral response of the solar cells, the number and thickness of coating materials needed to obtain efficient solar cells can be predicted. Some experimental results on single layer coated cells are also presented for comparison with calculations, and agreement is good. By means of microwave transmission line analogy, the design of the multilayer coating can be simplified by using Tchebycheff polynomials.

Wang, E. Y.↗
NASA NTRS1975

Optimal selection of passes

Preliminary numerical results obtained from the application of a linear feature selection technique to the determination of combinations of passes which best discriminate between a given set of crops in a given area of interest, are reported. The results obtained are not purported to hold in a general situation, but only for the given set of crops and the given, but unknown, levels of several factors-such as soil type, and fertilizer practice, holding in the area of interest. However, by identifying the various factors affecting the spectral signatures, and by formulating a regression model one could use the feature selection technique to determine the regression coefficients for predicting optimal passes for a given set of crops. Another use of the feature selection technique as applied to multiple pass registered data is the generation of enhanced grey scale displays by using a single linear combination of all channels of all designated passes as opposed to a single channel within a single pass.

Guseman, L. F., Jr.↗
NASA NTRS1975

Soil moisture and evapotranspiration predictions using Skylab data

The author has identified the following significant results. Multispectral reflectance and emittance data from the Skylab workshop were evaluated for prediction of evapotranspiration and soil moisture for an irrigated region of southern Texas. Wavelengths greater than 2.1 microns were required to spectrally distinguish between wet and dry fallow surfaces. Thermal data provided a better estimate of soil moisture than did data from the reflective bands. Thermal data were dependent on soil moisture but not on the type of agricultural land use. The emittance map, when used in conjunction with existing models, did provide an estimate of evapotranspiration rates. Surveys of areas of high soil moisture can be accomplished with space altitude thermal data. Thermal data will provide a reliable input into irrigation scheduling.

Myers, V. I.↗