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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Temporal covariance structure of multi-spectral phenotypes and their predictive ability for end-of-season traits in maize

Vegetation indices (VIs) derived from multi-spectral imaging (MSI) platforms can be used to study properties of crop canopy, providing non-destructive phenotypes that could be used to better understand growth curves throughout the growing season. To investigate the amount of variation present in several VIs and their relationship with important end-of-season traits, genetic and residual (co)variances for VIs, grain yield and moisture were estimated using data collected from maize hybrid trials. The VIs considered were Normalized Difference Vegetation Index (NDVI), Green NDVI, Red Edge NDVI, Soil-Adjusted Vegetation Index, Enhanced Vegetation Index and simple Ratio of Near Infrared to Red (Red) reflectance. Genetic correlations of VIs with grain yield and moisture were used to fit multi-trait models for prediction of end-of-season traits and evaluated using within site/year cross-validation. To explore alternatives to fitting multiple phenotypes from MSI, random regression models with linear splines were fit using data collected in 2016 and 2017. Heritability estimates ranging from (0.10 to 0.82) were observed, indicating that there exists considerable amount of genetic variation in these VIs. Furthermore, strong genetic and residual correlations of the VIs, NDVI and NDRE, with grain yield and moisture were found. Considerable increases in prediction accuracy were observed from the multi-trait model when using NDVI and NDRE as a secondary trait. Finally, random regression with a linear spline function shows potential to be used as an alternative to mixed models to fit VIs from multiple time points.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2011

Noise of Embedded High Aspect Ratio Nozzles

A family of high aspect ratio nozzles were designed to provide a parametric database of canonical embedded propulsion concepts. Nozzle throat geometries with aspect ratios of 2:1, 4:1, and 8:1 were chosen, all with convergent nozzle areas. The transition from the typical round duct to the rectangular nozzle was designed very carefully to produce a flow at the nozzle exit that was uniform and free from swirl. Once the basic rectangular nozzles were designed, external features common to embedded propulsion systems were added: extended lower lip (a.k.a. bevel, aft deck), differing sidewalls, and chevrons. For the latter detailed Reynolds-averaged Navier-Stokes (RANS) computational fluid dynamics (CFD) simulations were made to predict the thrust performance and to optimize parameters such as bevel length, and chevron penetration and azimuthal curvature. Seventeen of these nozzles were fabricated at a scale providing a 2.13 inch diameter equivalent area throat." ! The seventeen nozzles were tested for far-field noise and a few data were presented here on the effect of aspect ratio, bevel length, and chevron count and penetration. The sound field of the 2:1 aspect ratio rectangular jet was very nearly axisymmetric, but the 4:1 and 8:1 were not, the noise on their minor axes being louder than the major axes. Adding bevel length increased the noise of these nozzles, especially on their minor axes, both toward the long and short sides of the beveled nozzle. Chevrons were only added to the 2:1 rectangular jet. Adding 4 chevrons per wide side produced some decrease at aft angles, but increased the high frequency noise at right angles to the jet flow. This trend increased with increasing chevron penetration. Doubling the number of chevrons while maintaining their penetration decreased these effects. Empirical models of the parametric effect of these nozzles were constructed and quantify the trends stated above." Because it is the objective of the Supersonics Project that future design work be done more by physics-based computations and less by experiments, several codes under development were evaluated against these test cases. Preliminary results show that the RANS-based code JeNo predicts the spectral directivity of the low aspect ratio jets well, but has no capability to predict the non-axisymmetry. An effort to address this limitations, used in the RANS-based code of Leib and Goldstein, overpredicted the impact of aspect ratio. The broadband shock noise code RISN, also limited to axisymmetric assumptions, did a good job of predicting the spectral directivity of underexpanded 2:1 cold jet case but was not as successful on high aspect ratio jets, particularly when they are hot. All results are preliminary because the underlying CFD has not been validated yet. An effort using a Large Eddy Simulation code by Stanford University predicted noise that agreed with experiments to within a few dB.

Bridges, James E.↗
NASA NTRS1988

Time domain simulation of the response of geometrically nonlinear panels subjected to random loading

The response of composite panels subjected to random pressure loads large enough to cause geometrically nonlinear responses is studied. A time domain simulation is employed to solve the equations of motion. An adaptive time stepping algorithm is employed to minimize intermittent transients. A modified algorithm for the prediction of response spectral density is presented which predicts smooth spectral peaks for discrete time histories. Results are presented for a number of input pressure levels and damping coefficients. Response distributions are calculated and compared with the analytical solution of the Fokker-Planck equations. RMS response is reported as a function of input pressure level and damping coefficient. Spectral densities are calculated for a number of examples.

Moyer, E. Thomas, Jr.↗
DOE OSTI2023

Applied Machine-Learning Models to Identify Spectral Sub-Types of M Dwarfs from Photometric Surveys

M dwarfs are the most abundant stars in the Solar Neighborhood and they are prime targets for searching for rocky planets in habitable zones. Consequently, a detailed characterization of these stars is in demand. The spectral sub-type is one of the parameters that is used for the characterization and it is traditionally derived from the observed spectra. However, obtaining the spectra of M dwarfs is expensive in terms of observation time and resources due to their intrinsic faintness. We study the performance of four machine-learning (ML) models—K-Nearest Neighbor (KNN), Random Forest (RF), Probabilistic Random Forest (PRF), and Multilayer Perceptron (MLP)—in identifying the spectral sub-types of M dwarfs at a grand scale by deploying broadband photometry in the optical and near-infrared. We trained the ML models by using the spectroscopically identified M dwarfs from the Sloan Digital Sky Survey (SDSS) Data Release (DR) 7, together with their photometric colors that were derived from the SDSS, Two-Micron All-Sky Survey, and Wide-field Infrared Survey Explorer. We found that the RF, PRF, and MLP give a comparable prediction accuracy, 74%, while the KNN provides slightly lower accuracy, 71%. We also found that these models can predict the spectral sub-type of M dwarfs with ~99% accuracy within ±1 sub-type. The five most useful features for the prediction are r - z, r - i, r - J, r - H , and g - z, and hence lacking data in all SDSS bands substantially reduces the prediction accuracy. However, we can achieve an accuracy of over 70% when the r and i magnitudes are available. Since the stars in this study are nearby (d ≲ 1300 pc for 95% of the stars), the dust extinction can reduce the prediction accuracy by only 3%. Finally, we used our optimized RF models to predict the spectral sub-types of M dwarfs from the Catalog of Cool Dwarf Targets for the Transiting Exoplanet Survey Satellite, and we provide the optimized RF models for public use.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Performance of a Spectral Wave Model at Predicting Wave Farm Impacts

For renewable ocean wave energy to support global energy demands, wave energy converters (WECs) will likely be deployed in large numbers (farms), which will necessarily change the nearshore environment. Wave farm induced changes can be both helpful (e.g., beneficial habitat and coastal protection) and potentially harmful (e.g., degraded habitat, recreational, and commercial use) to existing users of the coastal environment. It is essential to estimate this impact through modeling prior to the development of a farm, and to that end, many researchers have used spectral wave models, such as Simulating WAves Nearshore (SWAN), to assess wave farm impacts. However, the validity of the approaches used within SWAN have not been thoroughly verified or validated. Herein, a version of SWAN, called Sandia National Laboratories (SNL)-SWAN, which has a specialized WEC implementation, is verified by comparing its wave field outputs to those of linear wave interaction theory (LWIT), where LWIT is theoretically more appropriate for modeling wave-body interactions and wave field effects. The focus is on medium-sized arrays of 27 WECs, wave periods, and directional spreading representative of likely conditions, as well as the impact on the nearshore. A quantitative metric, the Mean Squared Skill Score, is used. Results show that the performance of SNL-SWAN as compared to LWIT is “Good” to “Excellent”.

environmental impacts↗
NASA NTRS1996

Aircraft Noise Prediction Program (ANOPP) Fan Noise Prediction for Small Engines

The Fan Noise Module of ANOPP is used to predict the broadband noise and pure tones for axial flow compressors or fans. The module, based on the method developed by M. F. Heidmann, uses empirical functions to predict fan noise spectra as a function of frequency and polar directivity. Previous studies have determined the need to modify the module to better correlate measurements of fan noise from engines in the 3000- to 6000-pound thrust class. Additional measurements made by AlliedSignal have confirmed the need to revise the ANOPP fan noise method for smaller engines. This report describes the revisions to the fan noise method which have been verified with measured data from three separate AlliedSignal fan engines. Comparisons of the revised prediction show a significant improvement in overall and spectral noise predictions.

Hough, Joe W.↗
DOE OSTI2022

Extension of the bright high-harmonic photon energy range via nonadiabatic critical phase matching

The concept of critical ionization fraction has been essential for high-harmonic generation, because it dictates the maximum driving laser intensity while preserving the phase matching of harmonics. In this work, we reveal a second, nonadiabatic critical ionization fraction, which substantially extends the phase-matched harmonic energy, arising because of the strong reshaping of the intense laser field in a gas plasma. We validate this understanding through a systematic comparison between experiment and theory for a wide range of laser conditions. In particular, the properties of the high-harmonic spectrum versus the laser intensity undergoes three distinctive scenarios: (i) coincidence with the single-atom cutoff, (ii) strong spectral extension, and (iii) spectral energy saturation. We present an analytical model that predicts the spectral extension and reveals the increasing importance of the nonadiabatic effects for mid-infrared lasers. These findings are important for the development of high-brightness soft x-ray sources for applications in spectroscopy and imaging.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Machine learning the spectral function of a hole in a quantum antiferromagnet

Understanding charge motion in a background of interacting quantum spins is a fundamental problem in quantum many-body physics. The most extensively studied model for this problem is the so-called t-t'-t''-J model, where the determination of the parameter t' in the context of cuprate superconductors is challenging. Here we present a theoretical study of the spectral functions of a mobile hole in the t-t'-t''-J model using two machine-learning techniques: K-nearest neighbor regression (KNN) and a feed-forward neural network (FFNN). We employ the self-consistent Born approximation to generate a dataset of about 1.3 x 10 5 spectral functions. Here we show that, for the forward problem, both methods allow for the accurate and efficient prediction of spectral functions, allowing, e.g., rapid searches through parameter space. Furthermore, we find that for the inverse problem (inferring Hamiltonian parameters from spectra), the FFNN can, but the KNN cannot, accurately predict the model parameters using merely the density of states. Our results suggest that it may be possible to use deep-learning methods to predict materials parameters from experimentally measured spectral functions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

QC-GN 2 oMS 2 : a Graph Neural Net for High Resolution Mass Spectra Prediction

Predicting the mass spectrum of a molecular ion is often accomplished via three generalized approaches: rules-based methods for bond breaking, deep learning, or quantum chemical (QC) modeling. Rules-based approaches are often limited by the conditions for different chemical subspaces and perform poorly under chemical regimes with few defined rules. QC modeling is theoretically robust but requires significant amounts of computational time to produce a spectrum for a given target. Among deep learning techniques, graph neural networks (GNNs) have performed better than previous work with fingerprint-based neural networks in mass spectra prediction. To explore this technique further, we investigate the effects of including quantum chemically derived information as edge features in the GNN to increase predictive accuracy. The models we investigated include categorical bond order, bond force constants derived from extended tight-binding (xTB) quantum chemistry, and acyclic bond dissociation energies. Throughout this work, we evaluated these models against a control GNN with no edge features in the input graphs. Bond dissociation enthalpies yielded the best improvement with a cosine similarity score of 0.462 relative to the baseline model (0.437). In this work we also apply dynamic graph attention which improves performance on benchmark problems and supports the inclusion of edge features. Between implementations, we investigate the nature of the molecular embedding for spectra prediction and discuss the recognition of fragment topographies in distinct chemistries for further development in tandem mass spectrometry prediction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Developing a Spectral Correlation based Method for mitigating Angular Mismatch Effects in Intercalibration Using a Benchmark Hyperspectral Sensor

The CLARREO Pathfinder (CPF) mission will implement a state-of-the-art intercalibration method for transferring CPF’s in-orbit Système Internationale (SI)-traceable reference to the shortwave channel of the Clouds and the Earth’s Radiance Energy System (CERES) and the reflective solar bands of the Visible Infrared Imaging Radiometer Suite (VIIRS) aboard the NOAA-20 satellite platform with a targeted intercalibration methodology uncertainty of 0.3% (k=1). In order to achieve such a high intercalibration accuracy, the CPF intercalibration measurements to be scheduled need to closely match those from CERES and VIIRS in time, space, angles, and wavelength. Despite’s CPF’s two-axis pointing capability to match its boresight line of sight to that of a target sensor, there will be finite residual differences in angular samplings of the two instruments. The potential angular mismatch between CPF and the target sensors can introduce systematic errors in the intercalibration results, and therefore needs to be corrected using a rigorously designed algorithm. The CPF intercalibration team has been developing a correction method for mitigating the impact of these angular anisotropic effects in the CPF-VIIRS and CPF-CERES intercalibration. The method explores the spectral correlation relationship between the reflected solar radiances from the same surface target that would be measured by CPF at two adjacent angles. Our studies have shown that the spectral information based on CPF measurements can be used to accurately predict the spectral radiance or reflectance difference due to a given mismatch in the viewing and solar geometry. The hyper-spectral information can also be used to provide scene stratification without using any auxiliary data, which is critical to reduce the angular correction uncertainty. The angular correction relationship can be well established using simulated CPF-like top-of-atmosphere spectral radiances observed at all sorts of viewing geometry and solar angles and for different scenes. Intensive radiative transfer simulations have been completed using a state-of-art radiative transfer model developed by the CPF team members. The implementation of the algorithm on high-fidelity event simulation data and the characterization for the angular adjustment uncertainty will be presented.

Wan Wu↗
DOE OSTI2024

A novel methodology for gamma-ray spectra dataset procurement over varying standoff distances and source activities

The adoption of machine learning approaches for gamma-ray spectroscopy has received considerable attention in the literature. Many studies have investigated the deployment of various algorithm architectures to a specific task. However, little attention has been afforded to the development of the datasets leveraged to train the models. Such training datasets typically span a set of environmental or detector parameters to encompass a problem space of interest to a user. Variations in these measurement parameters will also induce fluctuations in the detector response, including expected pile-up and ground scatter effects. Fundamental to this work is the understanding that 1) the underlying spectral shape varies as the measurement parameters change and 2) the statistical uncertainties associated with two spectra impact their level of similarity. While previous studies attribute some arbitrary discretization to the measurement parameters for the generation of their synthetic training data, this work introduces a principled methodology for efficient spectral-based discretization of a problem space. A signal-to-noise ratio (SNR) respective spectral comparison measure and a Gaussian Process Regression (GPR) model are used to predict the spectral similarity across a range of measurement parameters. This innovative approach effectively showcased its capability by dividing a problem space, ranging from 5 cm to 100 cm standoff distances and 5 μCi–100 μCi of 137 Cs, into three unique combinations of measurement parameters. The findings from this work will aid in creating more robust datasets, which incorporate many possible measurement scenarios, reduce the number of required experimental test set measurements, and possibly enable experimental training data collection for gamma-ray spectroscopy.

data science↗
DOE OSTI2026

Synthetic Tuning of Exciton–Phonon Coupling in Janus WS 2(1-x) Se 2x Monolayers Revealed by Resonant Raman Excitation Spectroscopy for Optoelectronic Applications

Janus monolayers, such as WSSe, have broken out-of-plane symmetry and an intrinsic dipole moment, impacting exciton transport, lifetime, and phonon interactions while imbuing piezoelectric, photocatalytic, and Rashba spin-splitting properties to transition metal dichalcogenides (TMDs). The new properties of this atomically thin material can be used for optoelectronic device applications. As TMDs are converted into Janus monolayers, e.g., top selenization of WS2 to WSSe, the bandgap and structure smoothly evolve, impacting not only the formation of excitons but also their complex interactions with different phonon modes. Resonant Raman excitation profiles (REPs) are uniquely well-suited to reveal both excitonic transitions and exciton–phonon coupling. Here, the resonant REPs of $A^{'}_{1}$ WS 2 and A 1 WSSe modes are measured to understand the strength of their coupling with the A, B, and C excitonic bands of a WS2 monolayer throughout its stepwise transformation into Janus WSSe by pulsed laser deposition (PLD) of energetic selenium species. In situ Raman spectroscopy during deposition is used to controllably prepare stable intermediate Janus structures, WS 2(1-x) Se 2x (0 ≤ x ≤ 0.5), for ex situ measurement of their resonant REPs. As x increases, REPs reveal not only pronounced excitonic bands that gradually shift toward lower photon energies but also strong, mode-selective exciton–phonon coupling. First-principles resonant Raman simulations independently predict this spectral behavior and are shown capable of matching the spectrally broadened, experimentally observed REP profiles in this model system, indicating their strong predictive capability for future experiments. The combination of controlled synthesis, REP characterization, and predictive theory employed here demonstrates a powerful pathway to understand and ultimately tune exciton–phonon interactions for future quantum optical devices.

Janus monolayers↗
NASA NTRS1995

Determination of the in-flight spectral calibration of AVIRIS using atmospheric absorption features

Spectral calibration of the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) as data are acquired in flight is essential to quantitative analysis of the measured upwelling spectral radiance. In each spectrum measured by AVIRIS in flight, there are numerous atmospheric gas absorption bands that drive this requirement for accurate spectral calibration. If the surface and atmospheric properties are measured independently, these atmospheric absorption bands may be used to deduce the in-flight spectral calibration of an imaging spectrometer. Both the surface and atmospheric characteristics were measured for a calibration target during an in-flight calibration experiment held at Lunar Lake, Nevada on April 5, 1994. This paper uses upwelling spectral radiance predicted for the calibration target with the MODTRAN radiative transfer code to validate the spectral calibration of AVIRIS in flight.

Green, Robert O.↗
NASA NTRS2007

Progress Toward Improving Jet Noise Predictions in Hot Jets

An acoustic analogy methodology for improving noise predictions in hot round jets is presented. Past approaches have often neglected the impact of temperature fluctuations on the predicted sound spectral density, which could be significant for heated jets, and this has yielded noticeable acoustic under-predictions in such cases. The governing acoustic equations adopted here are a set of linearized, inhomogeneous Euler equations. These equations are combined into a single third order linear wave operator when the base flow is considered as a locally parallel mean flow. The remaining second-order fluctuations are regarded as the equivalent sources of sound and are modeled. It is shown that the hot jet effect may be introduced primarily through a fluctuating velocity/enthalpy term. Modeling this additional source requires specialized inputs from a RANS-based flowfield simulation. The information is supplied using an extension to a baseline two equation turbulence model that predicts total enthalpy variance in addition to the standard parameters. Preliminary application of this model to a series of unheated and heated subsonic jets shows significant improvement in the acoustic predictions at the 90 degree observer angle.

Khavaran, Abbas↗
DOE OSTI2023

Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction

Understanding dynamics in complex systems is challenging because there are many degrees of freedom, and those that are most important for describing events of interest are often not obvious. The leading eigenfunctions of the transition operator are useful for visualization, and they can provide an efficient basis for computing statistics, such as the likelihood and average time of events (predictions). Here, we develop inexact iterative linear algebra methods for computing these eigenfunctions (spectral estimation) and making predictions from a dataset of short trajectories sampled at finite intervals. We demonstrate the methods on a low-dimensional model that facilitates visualization and a high-dimensional model of a biomolecular system. Implications for the prediction problem in reinforcement learning are discussed.

Chemistry↗
NASA NTRS1995

Determination of The Inflight Spectral Calibration of AVIRIS Using Atmospheric Absorption Features

Both the surface and atmospheric characteistics were measured for a calibration target during an inflight calibration experiment held at Lunar Lake, Nevada on April 5, 1994 (Green, et al., 1995). This paper uses upwelling spectral radiance predicted for the calibration target with the MODTRAN radiative transfer code (Berk, et al., 1986) to validage the spectral calibration of AVIRIS inflight.

Atmospheric Absorption↗
DOE OSTI2022

Identification and assignment of rotational spectra using artificial neural networks

A method of identifying molecular parameters may include receiving observed transition frequencies, generating transition frequency sets and a spectral parameter sets, training one or more artificial neural networks by analyzing the transition frequency sets and the spectral parameter sets, analyzing the observed transition frequencies using the one or more trained artificial neural networks to predict estimated spectral parameters, and identifying molecular parameters by analyzing the estimated spectral parameters. A molecular parameter identification system may include a rotational spectrometer, a user interface, and a spectrum analysis application that may retrieve observed transition frequencies, identify a Hamiltonian type by a neural network analyzing the observed transition frequencies, select a second trained artificial neural network based on the identified Hamiltonian type, analyze observed transition frequencies using the second artificial neural network to identify estimated spectral parameters, and identify molecular parameters.

Prozuments, Kirills↗