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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 703 records · Page 39

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NASA NTRS2016

Lighting Condition Analysis for Mars' Moon Phobos

This study used high fidelity computer simulation to investigate the lighting conditions, specifically the solar radiation flux over the surface, on Phobos. Ephemeris data from the Jet Propulsion Laboratory (JPL) DE405 model was used to model the state of the Sun, Earth, Moon, and Mars. An occultation model was developed to simulate Phobos' self-shadowing and its solar eclipses by Mars. The propagated Phobos state was compared with data from JPL's Horizon system to ensure the accuracy of the result. Results for Phobos lighting conditions over one Martian year are presented, which include the duration of solar eclipses, average solar radiation intensity, surface exposure time, available energy per unit area for sun tracking arrays, and available energy per unit area for fixed arrays (constrained by incident angle). The results show that: Phobos' solar eclipse time varies throughout the Martian year, with longer eclipse durations during the Martian spring and fall seasons and no eclipses during the Martian summer and winter seasons; solar radiation intensity is close to minimum at the summer solstice and close to maximum at the winter solstice; exposure time per orbit is relatively constant over the surface during the spring and fall but varies with latitude during the summer and winter; and Sun tracking solar arrays generate more energy than a fixed solar array. A usage example of the result is also present in this paper to demonstrate the utility.

Li, Zu Qun↗

NASA NTRS2016

Lighting Condition Analysis for Mars' Moon Phobos

This study used high fidelity computer simulation to investigate the lighting conditions, specifically the solar radiation flux over the surface, on Phobos. Ephemeris data from the Jet Propulsion Laboratory (JPL) DE405 model was used to model the state of the Sun, Earth, Moon, and Mars. An occultation model was developed to simulate Phobos' self-shadowing and its solar eclipses by Mars. The propagated Phobos state was compared with data from JPL's Horizon system to ensure the accuracy of the result. Results for Phobos lighting conditions over one Martian year are presented, which include the duration of solar eclipses, average solar radiation intensity, surface exposure time, and radiant exposure for both sun tracking and fixed solar arrays. The results show that: Phobos' solar eclipse time varies throughout the Martian year, with longer eclipse durations during the Martian northern spring and fall seasons and no eclipses during the Martian northern summer and winter seasons; solar radiation intensity is close to minimum in late spring and close to maximum in late fall; exposure time per orbit is relatively constant over the surface during the spring and fall but varies with latitude during the summer and winter; and Sun tracking solar arrays generate more energy than a fixed solar array. A usage example of the result is also present in this paper to demonstrate the utility.

Li, Zu Qun↗

NASA NTRSDate not supplied

An Artificial Neural Network Approach to Predict Rotor-Airframe Acoustic Waveforms

A surrogate artificial neural network/machine learning model was developed to predict the acoustic interaction for a fixed-pitch rotor in proximity to a downstream cylindrical airframe typical of small Unmanned Aerial System (sUAS) platforms. The model was trained to predict the acoustic waveform under representative hover conditions as a function of rotational speed, airframe proximity, and observer angle. Training data were acquired in an anechoic chamber on both isolated rotors and rotor-airframe configurations. Acoustic amplitude and phase of the revolution-averaged interaction were predicted, which required up to 25 harmonics to capture the impulse event caused by the blade’s approach and departure from the airframe. Prediction performance showed, on average, that the models could estimate the acoustic amplitude and phase over the relevant harmonics for unseen conditions with 86% and 75% accuracy, respectively, enabling a time domain reconstruction of the waveform for the range of geometric and flow parameters tested.

acoustics↗

NASA NTRSDate not supplied

An Artificial Neural Network Approach to Predict Rotor-Airframe Acoustic Waveforms

acoustics↗

DOE OSTI2022

Shape Evolution of C75 Large-Grain Niobium Half-Cells During Cavity Fabrication

The largely anisotropic deformation of large-grain Nb discs during deep drawing into half-cells poses a challenge for achieving a desired shape accuracy. Two 5-cell cavities for the C75 CEBAF cryomodule rework program have been fabricated at Jefferson Lab from large-grain Nb discs directly sliced from an ingot. The shape of the inner surface of eight half-cells has been inspected using a FARO Edge laser scanner during the fabrication process and compared to the reference shape. On average, approximately 63% of the half-cell inner surface was found to be within 0.1 mm of the reference shape and ~90% to be within 0.2 mm, after the final equator machining. Several 5-cell C75 cavities have also been fabricated at Research Instruments, Germany, and measurements of the shape accuracy using a Zeiss 3D coordinate measuring machine gave similar results. One half-cell was measured both at Research Instruments and Jefferson Lab for comparison.

Ciovati, G.↗

DOE OSTI2022

Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets

Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications ranging from solar photovoltaics to infrared lasers. While these transition levels can be measured and calculated accurately, such efforts are time-consuming and more rapid prediction methods would be beneficial. Here, we significantly reduce the time typically required to predict impurity transition levels using multi-fidelity datasets and a machine learning approach employing features based on elemental properties and impurity positions. We use transition levels obtained from low-fidelity (i.e., local-density approximation or generalized gradient approximation) density functional theory (DFT) calculations, corrected using a recently proposed modified band alignment scheme, which well-approximates transition levels from high-fidelity DFT (i.e., hybrid HSE06). Further, the model fit to the large multi-fidelity database shows improved accuracy compared to the models trained on the more limited high-fidelity values. Crucially, in our approach, when using the multi-fidelity data, high-fidelity values are not required for model training, significantly reducing the computational cost required for training the model. Our machine learning model of transition levels has a root mean squared (mean absolute) error of 0.36 (0.27) eV vs high-fidelity hybrid functional values when averaged over 14 semiconductor systems from the II–VI and III–V families. As a guide for use on other systems, we assessed the model on simulated data to show the expected accuracy level as a function of bandgap for new materials of interest. Finally, we use the model to predict a complete space of impurity charge-state transition levels in all zinc blende III–V and II–VI systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

Historical Precision of an Ozone Correction Procedure for AMO Solar Cell Calibration

In an effort to improve the accuracy of the high altitude aircraft method for calibration of high band-gap solar cells, the ozone correction procedure has been revisited. The new procedure adjusts the measured short circuit current, Isc, according to satellite based ozone measurements and a model of the atmospheric ozone profile then extrapolates the measurements to air mass zero, AM0. The purpose of this paper is to assess the precision of the revised procedure by applying it to historical data sets. The average Isc of a silicon cell for a flying season increased 0.5% and the standard deviation improved from 0.5% to 0.3% The 12 year average Isc of a GaAs cell increased 1% and the standard deviation improved from 0.8% to 0.5%. The slight increase in measured Isc and improvement in standard deviation suggests that the accuracy of the aircraft method may improve from 1% to nearly 0.5%.

Snyder, David B.↗

NASA NTRS2005

Historical Precision of an Ozone Correction Procedure for AM0 Solar Cell Calibration

In an effort to improve the accuracy of the high altitude aircraft method for calibration of high band-gap solar cells, the ozone correction procedure has been revisited. The new procedure adjusts the measured short circuit current, Isc, according to satellite based ozone measurements and a model of the atmospheric ozone profile then extrapolates the measurements to air mass zero, AMO. The purpose of this paper is to assess the precision of the revised procedure by applying it to historical data sets. The average Isc of a silicon cell for a flying season increased 0.5% and the standard deviation improved from 0.5% to 0.3%. The 12 year average Isc of a GaAs cell increased 1% and the standard deviation improved from 0.8% to 0.5%. The slight increase in measured Isc and improvement in standard deviation suggests that the accuracy of the aircraft method may improve from 1% to nearly 0.5%.

Snyder, David B.↗

NASA NTRS1990

A comparison of ISCCP and FIRE satellite cloud parameters

One of the goals of the First ISCCP Regional Experiment (FIRE) is the quantification of the uncertainties in the cloud parameter products derived by the International Satellite Cloud Climatology Project (ISCCP). This validation effort has many facets including sensitivity analyses and comparisons to similar data or theoretical results with known accuracies. The FIRE provides cloud-truth data at particular points or along particular lines from surface and aircraft measurement systems. Relating these data to the larger, area-averaged ISCCP results requires intermediate steps using higher resolution satellite data analyses. Errors in the cloud products derived with a particular method can be determined by performing analyses of high resolution satellite data over the area surrounding the point or line measurement. This same analysis technique may then be used to derive cloud parameters over a larger area containing similar cloud fields. It is assumed that the uncertainties found for the small scale analyses are the same for the large scale so that the method has been calibrated for the particular cloud type; i.e., its accuracy is known. Differences between the large scale results using the ISCCP technique and the calibrated method can be computed and used to determine if any significant biases or rms errors occur in the ISCCP results. Selected ISCCP results are compared to cloud parameters derived using the hybrid bispectral threshold method over the FIRE IFO and extended observation areas.

Gibson, Gary G.↗

NASA NTRS2000

Airborne Laser Altimetry Mapping of the Greenland Ice Sheet: Application to Mass Balance Assessment

In 1998 and '99, the Arctic Ice Mapping (AIM) program completed resurveys of lines occupied 5 years earlier revealing elevation changes of the Greenland ice sheet and identifying areas of significant thinning, thickening and balance. In planning these surveys, consideration had to be given to the spatial constraints associated with aircraft operation, the spatial nature of ice sheet behavior, and limited resources, as well as temporal issues, such as seasonal and interannual variability in the context of measurement accuracy. This paper examines the extent to which the sampling and survey strategy is valid for drawing conclusions on the current state of balance of the Greenland ice sheet. The surveys covered the entire ice sheet with an average distance of 21.4 km between each location on the ice sheet and the nearest flight line. For most of the ice sheet, the elevation changes show relatively little spatial variability, and their magnitudes are significantly smaller than the observed elevation change signal. As a result, we conclude that the density of the sampling and the accuracy of the measurements are sufficient to draw meaningful conclusions on the state of balance of the entire ice sheet over the five-year survey period. Outlet glaciers, however, show far more spatial and temporal variability, and each of the major ones is likely to require individual surveys in order to determine its balance.

Abdalati, W.↗

DOE OSTI2021

The influence of tillage and fertilizer on the flux and source of nitrous oxide with reference to atmospheric variation using laser spectroscopy

Nitrous oxide (N 2 O) is the third most important long-lived greenhouse gas and agriculture is the largest source of N 2 O emissions. Curbing N 2 O emissions requires understanding influences on the flux and sources of N 2 O. We measured flux and evaluated microbial sources of N 2 O using site preference ( S P ; the intramolecular distribution of 15 N in N 2 O) in flux chambers from a grassland tilling and agricultural fertilization experiments and atmosphere. We identified values greater than that of the average atmosphere to reflect nitrification and/or fungal denitrification and those lower than atmosphere as increased denitrification. Our spectroscopic approach was based on an extensive calibration with 18 standards that yielded S P accuracy and reproducibility of 0.7 ‰ and 1.0 ‰, respectively, without preconcentration. Chamber samples from the tilling experiment taken ~ monthly over a year showed a wide range in N 2 O flux (0–1.9 g N 2 O-N ha -1 d -1 ) and S P (- 1.8 to 25.1 ‰). Flux and S P were not influenced by tilling but responded to sampling date. Large fluxes occurred in October and May in no-till when soils were warm and moist and during a spring thaw, an event likely representing release of N 2 O accumulated under snow cover. These high fluxes could not be ascribed to a single microbial process as S P differed among chambers. However, the year-long S P and flux data for no-till showed a slight direct relationship suggesting that nitrification increased with flux. The comparative data in till showed an inverse relationship indicating that high flux events are driven by denitrification. Corn ( Zea mays ) showed high fluxes and S P values indicative of nitrification ~ 4 wk after fertilization with subsequent declines in S P indicating denitrification. Although there was no effect of fertilizer treatment on flux or S P in switchgrass ( Panicum virgatum) , high fluxes occurred ~1 month after fertilization. In both treatments, S P was indicative of denitrification in many instances, but evidence of nitrification/fungal denitrification also prevailed. At 2 m atmospheric N 2 O S P had a range of 31.1 ‰ and 14.6 ‰ in the grassland tilling and agricultural fertilization experiments, respectively. These data suggest the influence of soil microbial processes on atmospheric N 2 O and argue against the use of the global average atmospheric S P in isotopic modeling approaches.

Environmental Sciences & Ecology↗

DOE OSTI2022

Convolutional neural networks for intra-hour solar forecasting based on sky image sequences

Accurate and timely solar forecasts play an increasingly critical role in power systems. Compared to longer forecasting timescales, very short-term solar forecasting has lagged behind in both research and practice. In this paper, we propose deep convolutional neural networks (CNNs) to provide operational intra-hour (10-minute-ahead to 60-minute-ahead) solar forecasts. We develop two CNN structures inspired by a widely-used CNN architecture. The CNNs are tailored to our solar forecasting regression tasks and rely solely on sky image sequences. Case studies based on six years of data (over 150,000 data points) demonstrate that the best CNN model has forecast skill scores of 20%-39% over the naive persistence of cloudiness benchmark, even at these very short timescales. The CNNs also have consistently superior performance when compared to shallow machine learning models with meteorological predictors, where the improvement averages around 7%. The sensitivity analyses show that the sky image length, resolution, and weather conditions have impacts on the deep learning model accuracy. In our intra-hour problem with specific setups, two sky images with a 10-minute 128 x 128 resolution yield the most accurate forecasts. Current limitations, future work, and deployment challenges and solutions are also discussed.

14 SOLAR ENERGY↗

DOE OSTI2024

Machine learning models of intermittent operation of RO wellhead water treatment for salinity reduction and nitrate removal

Machine learning models were developed for intermittent multi-mode operation of a wellhead reverse osmosis water purification and desalination system to predict salt passage, nitrate passage, and permeate flux. The models, based on long short-term memory (LSTM) recurrent neural network (RNN) architecture, included an attention mechanism to increase model performance in proximity of the regulatory limit for nitrate. Training and testing of the models for the Startup, Production, Shutdown and Flushing operational modes were based on operational data (consisting of 22 process variables per data sample) acquired every 2–5 s over a six-month period. The significant sets of model input attributes for the different operational modes were assessed via Spearman ranking correlation, Self-Organizing Map (SOM) analysis and feed forward feature selection (FFFS). Although the variability of nitrate passage, salt passage and permeate flux was significant over the four operational modes, prediction performance for the three outcomes were with R2 and Average Absolute Relative Error (AARE) of 0.78–0.95 and 2.96–6.16 %, respectively. Model updates post membrane elements replacement demonstrated similar levels of prediction accuracy. The study results suggest that there is merit in exploring the utility of multi-mode models for sensor fault detection, data imputation, and for potential use in model-predictive control.

Intermittent RO operation↗

DOE OSTI2026

Unsupervised anomaly detection in MeV ultrafast electron diffraction

MeV ultrafast electron diffraction (MUED) is a pump-probe technique used to study the dynamic structural evolution of materials. An ultrashort laser pulse triggers structural changes, which are then probed by an ultrashort relativistic electron beam. To overcome low signal-to-noise ratios, diffraction patterns are averaged over thousands of shots. However, shot-to-shot instabilities in the electron beam can distort individual patterns, introducing uncertainty. Improving MUED accuracy requires detecting and removing these anomalous patterns from large datasets. In this work, we developed a fully unsupervised methodology for the detection of anomalous diffraction patterns. Using a convolutional autoencoder, we calculate the reconstruction mean squared error of the diffraction patterns. Based on the statistical analysis of this error, we provide the user an estimation of the probability that the pattern is normal, which also allows a posterior visual inspection of the images that are difficult to classify. This method has been trained with only 100 diffraction patterns and tested on 1521 patterns, resulting in a false positive rate between 0.2% and 0.4%, with a training time of 10 s per image and a test time of about 1 s per image. Here, the proposed methodology can also be applied to other diffraction techniques in which large datasets are collected that include faulty images due to instrumental instabilities.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Accurate, Uncertainty-Aware Classification of Molecular Chemical Motifs from Multimodal X-ray Absorption Spectroscopy

Accurate classification of molecular chemical motifs from experimental measurement is an important problem in molecular physics, chemistry, and biology. In this work, we present neural network ensemble classifiers for predicting the presence (or lack thereof) of 41 different chemical motifs on small molecules from simulated C, N, and O K-edge X-ray absorption near-edge structure (XANES) spectra. Our classifiers not only achieve class-balanced accuracies of more than 0.95 but also accurately quantify uncertainty. Here, we also show that including multiple XANES modalities improves predictions notably on average, demonstrating a “multimodal advantage” over any single modality. In addition to structure refinement, our approach can be generalized to broad applications with molecular design pipelines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Analytical comparisons of handheld LIBS and XRF devices for rapid quantification of gallium in a plutonium surrogate matrix

This work compares a portable laser-induced breakdown spectroscopy (LIBS) analyzer to a portable X-ray fluorescence (XRF) device for quantification of gallium (Ga) in a plutonium surrogate matrix of cerium (Ce) for the first time. Calibration methods are developed with spectra of Ce–Ga samples from both devices. Here, metrics such as limit of detection (LoD) and mean average percent error (MAPE) are examined to evaluate calibration performance. While the portable LIBS device can yield a nearly instantaneous analytical measurement, its accuracy is hampered by self-absorption. By employing a self-absorption correction and increasing gating delay, LIBS calibrations with errors in the low single percents and LoDs of 0.1% Ga were constructed. The XRF device produces calibrations with superlative sensitivity, yielding LoDs for gallium in the low tens of parts-per-million (ppm), two orders of magnitude lower than the corrected LIBS models. However, a clear trade-off of measurement fidelity is established between the instantaneous analysis of the LIBS device and the minutes-long XRF measurement yielding superior detection limits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Line curvature algorithm in laser ektacytometry of red blood cells

The iso-intensity line curvature algorithm in laser ektacytometry of red blood cells is investigated by numerical simulation. The algorithm is designed to measure the average deformability, as well as the width and asymmetry of the red blood cell deformability distribution in a blood sample under study. The accuracy and scope of the algorithm are determined. Using a bimodal ensemble as an example, the possibility of determining the fraction of weakly deformable red blood cells in a blood sample by laser ektacytometry is demonstrated. (laser medicine)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Towards Elucidating Structure–Spectra Relationships in Rhamnogalacturonan II: Computational Protocols for Accurate 13C and 1H Shifts for Apiose and Its Borate Esters

Apiose is a naturally occurring, uncommon branched-chain pentose found in plant cell walls as part of the complex polysaccharide Rhamnogalacturonan II (RG-II). The structural elucidation of the three-dimensional structure of RG-II by nuclear magnetic resonance (NMR) spectroscopy is significantly complicated by the ability of apiose to cross-link via borate ester linkages to form RG-II dimers. Here, we developed a computational approach to gain insight into the structure–spectra relationships of apio–borate complexes in an effort to complement experimental assignments of NMR signals in RG-II. Our protocol involved structure optimizations using density functional theory (DFT) followed by isotropic magnetic shielding constant calculations using the gauge-invariant atomic orbital (GIAO) approach to predict chemical shifts. We evaluated the accuracy of 23 different functional–basis set (FBS) combinations with and without implicit solvation for predicting the experimental 1 H and 13 C shifts of a methyl apioside and its three borate derivatives. The computed NMR predictions were evaluated on the basis of the overall shift accuracy, relative shift ordering, and the ability to distinguish between dimers and monomers. We demonstrate that the consideration of implicit solvation during geometry optimizations in addition to the magnetic shielding constant calculations greatly increases the accuracy of NMR chemical shift predictions and can correctly reproduce the ordering of the 13 C shifts and yield predictions that are, on average, within 1.50 ppm for 13 C and 0.12 ppm for 1 H shifts for apio–borate compounds.

BASIC BIOLOGICAL SCIENCES,BIOMASS FUELS↗