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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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NASA NTRS2006

Application of p-Multigrid to Discontinuous Galerkin Formulations of the Poisson Equation

We investigate p-multigrid as a solution method for several different discontinuous Galerkin (DG) formulations of the Poisson equation. Different combinations of relaxation schemes and basis sets have been combined with the DG formulations to find the best performing combination. The damping factors of the schemes have been determined using Fourier analysis for both one and two-dimensional problems. One important finding is that when using DG formulations, the standard approach of forming the coarse p matrices separately for each level of multigrid is often unstable. To ensure stability the coarse p matrices must be constructed from the fine grid matrices using algebraic multigrid techniques. Of the relaxation schemes, we find that the combination of Jacobi relaxation with the spectral element basis is fairly effective. The results using this combination are p sensitive in both one and two dimensions, but reasonable convergence rates can still be achieved for moderate values of p and isotropic meshes. A competitive alternative is a block Gauss-Seidel relaxation. This actually out performs a more expensive line relaxation when the mesh is isotropic. When the mesh becomes highly anisotropic, the implicit line method and the Gauss-Seidel implicit line method are the only effective schemes. Adding the Gauss-Seidel terms to the implicit line method gives a significant improvement over the line relaxation method.

Helenbrook, B. T.↗

DOE OSTI2026

Revealing Local Structures through Machine-Learning-Fused Multimodal Spectroscopy

Atomistic structures of materials offer valuable insights into their functionality. Determining these structures remains a fundamental challenge in materials science, especially for systems with defects. While both experimental and computational methods exist, each has limitations in resolving nanoscale structures. Core-level spectroscopies, such as X-ray absorption (XAS) or electron energy-loss spectroscopies (EELS), have been used to determine the local bonding environment and structure of materials. Recently, machine learning (ML) methods have been applied to extract structural and bonding information from XAS/EELS data. However, frameworks relying solely on a single data stream, defined as characterization data derived from a single element using one technique, are often insufficient because multiple local environments can yield similar spectral features, making it challenging to differentiate between competing structural hypotheses. Here, in this work, we address this challenge by integrating multimodal ab initio simulations, experimental data acquisition, and ML techniques for structure characterization. Our goal is to determine local structures and properties using EELS and XAS data from multiple elements and edges. To showcase our approach, we use various lithium nickel manganese cobalt (NMC) oxide compounds which are used for lithium ion batteries, including those with oxygen vacancies and antisite defects, as the sample material system. We successfully inferred local element content, ranging from lithium to transition metals, with quantitative agreement with experimental data. Beyond local element inference, we find that ML model based on multimodal spectroscopic data is able to determine whether local defects such as oxygen vacancy and antisites are present, a task which is impossible for single mode spectra or other experimental techniques. Furthermore, our framework is able to provide physical interpretability, bridging spectroscopy with the local atomic and electronic structures.

battery↗

NASA NTRS1982

Geology team

Evaluating of the combined utility of narrowband and multispectral imaging in both the infrared and visible for the lithologic identification of geologic materials, and of the combined utility of multispectral imaging in the visible and infrared for lithologic mapping on a global bases are near term recommendations for future imaging capabilities. Long term recommendations include laboratory research into methods of field sampling and theoretical models of microscale mixing. The utility of improved spatial and spectral resolutions and radiometric sensitivity is also suggested for the long term. Geobotanical remote sensing research should be conducted to (1) separate geological and botanical spectral signatures in individual picture elements; (2) study geobotanical correlations that more fully simulate natural conditions; and use test sites designed to test specific geobotanical hypotheses.

Source record↗

NASA NTRS1994

Calibration of the COBE FIRAS instrument

The Far-Infrared Absolute Spectrophotometer (FIRAS) instrument on the Cosmic Background Explorer (COBE) satellite was designed to accurately measure the spectrum of the cosmic microwave background radiation (CMBR) in the frequency range 1-95/cm with an angular resolution of 7 deg. We describe the calibration of this instrument, including the method of obtaining calibration data, reduction of data, the instrument model, fitting the model to the calibration data, and application of the resulting model solution to sky observations. The instrument model fits well for calibration data that resemble sky condition. The method of propagating detector noise through the calibration process to yield a covariance matrix of the calibrated sky data is described. The final uncertainties are variable both in frequency and position, but for a typical calibrated sky 2.6 deg square pixel and 0.7/cm spectral element the random detector noise limit is of order of a few times 10(exp -7) ergs/sq cm/s/sr cm for 2-20/cm, and the difference between the sky and the best-fit cosmic blackbody can be measured with a gain uncertainty of less than 3%.

Fixsen, D. J.↗

NASA NTRS2018

Metrology-based Techniques for Optical System Alignment for the OSIRIS-Rx Visual and InfraRed Spectrometer

The alignment, integration, and test group (AI&T) in the optics branch at NASA Goddard Space Flight Center (GSFC) specializes in optical and opto-mechanical alignment and metrology for project ranging from building and testing instrument such as spectrometers and cameras to larger structures such as telescopes to large volume metrology and alignment at the observatory level for spacecraft payloads. One of the projects that involved the support of the AI&T group was the OSIRIS-Rex Visual and Infra-Red Spectrometer (OVIRS) for the Origins-Spectral Interpretation-Resource Identification-Security-Regolith Explorer (OSIRIS-Rex) mission. The purpose of this report is to outline the tools, methods, and approaches to metrology utilized by the AI&T group and how they were applied specifically to the optical alignment of the elements on OVIRS during the ambient I&T phase.

Young, Jerrod↗

NASA NTRS2008

AERONET-OC: Strengths and Weaknesses of a Network for the Validation of Satellite Coastal Radiometric Products

The Ocean Color component of the Aerosol Robotic Network (AERONET-OC) has been implemented to support long-term satellite ocean color investigations through cross-site consistent and accurate measurements collected by autonomous radiometer systems deployed on offshore fixed platforms. The ultimate purpose of AERONET-OC is the production of standardized measurements performed at different sites with identical measuring systems and protocols, calibrated using a single reference source and method, and processed with the same code. The AERONET-OC primary data product is the normalized water leaving radiance determined at center-wavelengths of interest for satellite ocean color applications, with an uncertainty lower than 5% in the blue-green spectral regions and higher than 8% in the red. Measurements collected at 6 sites counting the northern Adriatic Sea, the Baltic Proper, the Gulf of Finland, the Persian Gulf, and, the northern and southern margins of the Middle Atlantic Bay, have shown the capability of producing quality assured data over a wide range of bio-optical conditions including Case-2 yellow substance- and sedimentdominated waters. This work briefly introduces network elements like: deployment sites, measurement method, instrument calibration, processing scheme, quality-assurance, uncertainties, data archive and products accessibility. Emphases is given to those elements which underline the network strengths (i.e., mostly standardization of any network element) and its weaknesses (i.e., the use of consolidated, but old-fashioned technology). The work also addresses the application of AERONET-OC data to the validation of primary satellite radiometric products over a variety of complex coastal waters and finally provides elements for the identification of new deployment sites most suitable to support satellite ocean color missions.

Zibordi, Giuseppe↗

NASA NTRS1980

Mechanisms of nitrogen heterocycle influence on turbine fuel stability

Lewis bases were extracted from a Utah COED syncrude via ligand exchange. Addition of this extract to Jet A at levels as low as 5 ppm N produced deterioration of stability in both JFTOT and accelerated storage tests (7 days at 394 K with 13:1air to fuel ratio). Comparable effects on Jet A stability were obtained by addition of pyridine and quinoline, while pyrrole and indole were less detrimental at the same concentration level. The weight of deposit produced accelerated storage tests was found to be proportional to the concentration of added nitrogen compound. Over the narrow temperature range accessible with the experimental method, Arrhenius plots obtained by assuming specific rate to be proportional to the weight of material deposited in seven days exhibit greater slopes in the presence of those nitrogen compounds producing the greater deposition rates. It is shown that despite variation in appearance the elemental composition and spectral characteristics of the deposits are unaffected by addition of the nitrogen compounds. The linearity of the Arrhenius plots and of a plot of Arrhenius slope versus intercept for all the compounds suggests a constancy of mechanism over the range of temperature and heterocycles studied.

Daniel, S. R.↗

NASA NTRS1992

Chemical vapor deposition fluid flow simulation modelling tool

Accurate numerical simulation of chemical vapor deposition (CVD) processes requires a general purpose computational fluid dynamics package combined with specialized capabilities for high temperature chemistry. In this report, we describe the implementation of these specialized capabilities in the spectral element code NEKTON. The thermal expansion of the gases involved is shown to be accurately approximated by the low Mach number perturbation expansion of the incompressible Navier-Stokes equations. The radiative heat transfer between multiple interacting radiating surfaces is shown to be tractable using the method of Gebhart. The disparate rates of reaction and diffusion in CVD processes are calculated via a point-implicit time integration scheme. We demonstrate the use above capabilities on prototypical CVD applications.

Bullister, Edward T.↗

NASA NTRS1987

Reynolds stress closure in jet flows using wave models

Numerical methods were developed that will form the computational part of the turbulence closure scheme. A wave model was developed for the two-dimensional shear layer. This configuration is being used as a test case for the closure schemes. Various numerical schemes were examined to give efficient solutions of the Rayleigh equation for this geometry. These include both spectral and finite difference methods. Secondly, numerical methods are under development to solve the non-separable Rayleigh equation. This solution is required for the closure scheme in more complex geometries. A model problem was used to assist in the algorithm development. Two-dimensional spectral methods and a hybrid spectral/finite difference technique were developed. An analytic solution of the Rayleigh equation for a basic elliptic flow was obtained. This will be used to verify the stability codes developed for arbitrary geometries. Other numerical methods for solving the Rayleigh equation based on the boundary element technique were also examined. These solutions are forming the basis of a model for the shock structure in jets of arbitrary geometry.

Morris, P. J.↗

NASA NTRS1990

Enstrophy budget in decaying compressible turbulence

The interaction of vorticity and shock waves in decaying compressible turbulence is investigated by direct numerical simulation of the Navier-Stokes equation using a spectral method with 64-cubed collocation points. The Taylor microscale Reynolds number decreases from 36 to 17 and the rms Mach number from 0.8 to 0.4 during the decay. It is observed that vorticity is created inside curved shocks through baroclinic interaction and intensified by the compression of fluid elements. Vortex stretching is, on the other hand, dominant outside shocks and is responsible for enhancing the strength of vorticity. A dipole of vorticity is typically created at the vertex of curved shocks, the structure of which is explained in terms of jump relations of velocity derivatives across a curved shock.

Kida, Shigeo↗

DOE OSTI2026

ML-Based Pebble Power Reconstruction for Pebble Bed Reactor Analysis

Pebble power reconstruction has been explored to complement the conventional homogenized modeling approach in pebble bed reactor (PBR) analysis, as detailed heterogeneous geometry calculations are computationally expensive. The random distribution of pebble fuels within the core challenges the application of conventional pin power reconstruction methods. To address this, we introduce a machine learning approach based on the transformer model, composed of encoder and decoder layers, to estimate the flux and power form functions for reconstructing individual pebble neutron fluxes and powers. The homogeneous neutron flux distribution within each spectral zone (SZ) is obtained from finite element solutions of global diffusion or transport calculations. Verification tests demonstrate that the trained transformer model accurately predicts power form functions over a range of conditions, including variations in pebble enrichment, location, type, SZ size, and burnup. In particular, verification using a three-dimensional PBR benchmark with burned pebbles shows good agreement in heterogeneous pebble power distributions between Griffin and Serpent. These results highlight the potential of applying conventional pin power reconstruction approaches to PBR cores with randomly distributed pebbles.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Enhancement of terahertz fields in LiTaO 3 waveguides using a conical pulse front

The development of methods for the generation of strong ultrafast electromagnetic pulses in the terahertz (THz) spectral range has led to a surge of progress in nonlinear THz spectroscopy and THz control of molecular and collective responses. For spectroscopy in the 1-THz range, the submillimeter wavelengths and associated large spot sizes, large optical elements, and short distances between final focusing elements and samples can lead to cumbersome experimental setups that are incompatible with some sample environments. Here, we introduce a novel terahertz ring excitation (TREx) optical pumping geometry to generate superposing, focusing fields in planar THz waveguides made out of the electro-optic material lithium tantalate. High THz fields, >175 kV/cm, are generated and measured optically with no free-space THz propagation. The field level achieved by pumping with a sequence of concentric rings of excitation light exceeds by about 20× the result of a single cylindrically focused line of pump light that has been used routinely in previous work. The technique opens new prospects for compact waveguide-based linear and nonlinear THz spectroscopy and signal processing.

47 OTHER INSTRUMENTATION↗

NASA NTRS1984

High spectral resolution remote sensing of the land

Spectral remote sensing has been practiced on a large scale since the launch of Landsat 1 in 1972. The limited information contained in this spectrally undersampled data set has led to the development of sophisticated statistical-inferential methods for data analysis. The results are usually limited by the availability of ground truth information. Recent technological developments have made it feasible to create narrow-band, contiguous, spectral image data sets that make possible the identification of surface cover materials based on the complete reflectance spectrum for each picture element. This capability will revolutionize the use of remote sensing data and require new deterministic image processing techniques to extract the full information content from the data. Sensors, based on the concept of imaging spectrometry and the new technology of area array infrared detectors, have been constructed and are candidates for Shuttle and space platform flights.

Goetz, A. F. H.↗

NASA NTRS1991

Accuracy and speed in computing the Chebyshev collocation derivative

We studied several algorithms for computing the Chebyshev spectral derivative and compare their roundoff error. For a large number of collocation points, the elements of the Chebyshev differentiation matrix, if constructed in the usual way, are not computed accurately. A subtle cause is is found to account for the poor accuracy when computing the derivative by the matrix-vector multiplication method. Methods for accurately computing the elements of the matrix are presented, and we find that if the entities of the matrix are computed accurately, the roundoff error of the matrix-vector multiplication is as small as that of the transform-recursion algorithm. Results of CPU time usage are shown for several different algorithms for computing the derivative by the Chebyshev collocation method for a wide variety of two-dimensional grid sizes on both an IBM and a Cray 2 computer. We found that which algorithm is fastest on a particular machine depends not only on the grid size, but also on small details of the computer hardware as well. For most practical grid sizes used in computation, the even-odd decomposition algorithm is found to be faster than the transform-recursion method.

Don, Wai-Sun↗

NASA NTRS2003

Method for Balancing Detector Output to a Desired Level of Balance at a Frequency

A multi-gas sensor is provided which modulates a polarized light beam over a broadband of wavelengths between two alternating orthogonal polarization components. The two orthogonal polarization components of the polarization modulated beam are directed along two distinct optical paths. At least one optical path contains one or more spectral discrimination elements, with each spectral discrimination element having spectral absorption features of one or more gases of interest being measured. The two optical paths then intersect, and one orthogonal component of the intersected components is transmitted and the other orthogonal component is reflected. The combined polarization modulated beam is partitioned into one or more smaller spectral regions of interest where one or more gases of interest has an absorption band. The difference in intensity between the two orthogonal polarization components is then determined in each partitioned spectral region of interest as an indication of the spectral emission/absorption of the light beam by the gases of interest in the measurement path. The spectral emission/absorption is indicative of the concentration of the one or more gases of interest in the measurement path. More specifically, one embodiment of the present invention is a gas filter correlation radiometer which comprises a polarizer, a polarization modulator, a polarization beam splitter, a beam combiner, wavelength partitioning element, and detection element. The gases of interest are measured simultaneously and, further, can be measured independently or non-independently. Furthermore, optical or electronic element are provided to balance optical intensities between the two optical paths.

Sachse, Glenn W.↗

DOE OSTI2025

Demonstration of an AI-driven workflow for dynamic x-ray spectroscopy

X-ray absorption near edge structure (XANES) spectroscopy is a powerful technique for characterizing the chemical state and symmetry of individual elements within materials, but requires collecting data at many energy points which can be time-consuming. While adaptive sampling methods exist for efficiently collecting spectroscopic data, they often lack domain-specific knowledge about the structure of XANES spectra. Here we demonstrate a knowledge-injected Bayesian optimization approach for adaptive XANES data collection that incorporates understanding of spectral features like absorption edges and pre-edge peaks. We show this method accurately reconstructs the absorption edge of XANES spectra using only 15–20% of the measurement points typically needed for conventional sampling, while maintaining the ability to determine the x-ray energy of the sharp peak after the absorption edge with errors less than 0.03 eV, the absorption edge with errors less than 0.1 eV; and overall root-mean-square errors less than 0.005 compared to traditionally sampled spectra. Our experiments on battery materials and catalysts demonstrate the method’s effectiveness for both static and dynamic XANES measurements, improving data collection efficiency and enabling better time resolution for tracking chemical changes. This approach advances the degree of automation in XANES experiments, reducing the common errors of under- or over-sampling points near the absorption edge and enabling dynamic experiments that require high temporal resolution or limited measurement time.

Bayesian optimization↗

DOE OSTI2024

Determining Stellar Elemental Abundances from DESI Spectra with the Data-driven Payne

Abstract Stellar abundances for a large number of stars provide key information for the study of Galactic formation history. Large spectroscopic surveys such as the Dark Energy Spectroscopic Instrument (DESI) and LAMOST take median-to-low-resolution (R≲ 5000) spectra in the full optical wavelength range for millions of stars. However, the line-blending effect in these spectra causes great challenges for elemental abundance determination. Here we employDD-Payne, a data-driven method regularized by differential spectra from stellar physical models, to the DESI early data release spectra for stellar abundance determination. Our implementation delivers 15 labels, including effective temperatureT eff , surface gravity log g , microturbulence velocityv mic , and the abundances for 12 individual elements, namely C, N, O, Mg, Al, Si, Ca, Ti, Cr, Mn, Fe, and Ni. Given a spectral signal-to-noise ratio of 100 per pixel, the internal precisions of the label estimates are about 20 K forT eff , 0.05 dex for log g , and 0.05 dex for most elemental abundances. These results agree with the theoretical limits from the Crámer–Rao bound calculation within a factor of 2. The majority of the accreted halo stars contributed by the Gaia–Enceladus–Sausage are discernible from the disk and in situ halo populations in the resultant [Mg/Fe]–[Fe/H] and [Al/Fe]–[Fe/H] abundance spaces. We also provide distance and orbital parameters for the sample stars, which spread over a distance out to ∼100 kpc. The DESI sample has a significantly higher fraction of distant (or metal-poor) stars than the other existing spectroscopic surveys, making it a powerful data set for studying the Galactic outskirts. The catalog is publicly available.

Astronomy & Astrophysics↗

NASA NTRS1985

Coupled atmosphere/canopy model for remote sensing of plant reflectance features

Solar radiative transfer through a coupled system of atmosphere and plant canopy is modeled as a multiple-scattering problem through a layered medium of random scatterers. The radiative transfer equation is solved by the discrete-ordinates finite-element method. Analytic expressions are derived that allow the calculation of scattering and absorption cross sections for any plant canopy layer form measurable biophysical parameters such as the leaf area index, leaf angle distribution, and individual leaf reflectance and transmittance data. An expression for a canopy scattering phase function is also given. Computational results are in good agreement with spectral reflectance measurements directly above a soybean canopy, and the concept of greenness- and brightness-transforms of Landsat MSS data is reconfirmed with the computed results. A sensitivity analysis with the coupled atmosphere/canopy model quantifies how satellite-sensed spectral radiances are affected by increased atmospheric aerosols, by varying leaf area index, by anisotropic leaf scattering, and by non-Lambertian soil boundary conditions. Possible extensions to a 2-D model are also discussed.

Gerstl, S. A.↗