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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Gas–Phase Synthesis of 3–Vinylcyclopropene via the Crossed Beam Reaction of the Methylidyne Radical (CH; X 2 Π) with 1,3–Butadiene (CH 2 CHCHCH 2 ; X 1 Ag)

The crossed molecular beam reactions of the methylidyne radical (CH; X 2 Π) with 1,3-butadiene (CH 2 CHCHCH 2 ; X 1 Ag) along with their (partially) deuterated counterparts were performed at collision energies of 20.8 kJ mol -1 under single collision conditions. Combining our laboratory data with ab initio calculations, we reveal that the methylidyne radical may add barrierlessly to the terminal carbon atom and/or carbon-carbon double bond of 1,3-butadiene, leading to doublet C 5 H 7 intermediates with life times longer than the rotation periods. Furthermore, these collision complexes undergo non-statistical unimolecular decomposition through hydrogen atom emission yielding the cyclic cis- and trans-3-vinyl-cyclopropene products with reaction exoergicities of 119±42 kJ mol -1 . Since this reaction is barrierless, exoergic, and all transition states are located below the energy of the separated reactants, these cyclic C 5 H 6 products are predicted to be accessed even in low-temperature environments, such as in hydrocarbon-rich atmospheres of planets and cold molecular clouds such as TMC-1.

3-vinylcyclopropene↗
DOE OSTI2024

Errant Beam Prognostics with Machine Leaning at SNS Accelerator

Particle Accelerators are complex machine with many pieces of equipment running in synchronization to deliver required beam. However, faults in particle accelerators reduce the availability of the beam for experiments affecting the overall science output. To avoid these faults, we apply anomaly detection techniques to predict any unusual behavior and perform preemptive actions to improve the total availability. Many researchers have adopted semi-supervised Machine Learning (ML) methods such as auto-encoders and variational auto-encoders for such tasks. However, supervised ML techniques designed for similarity learning such as Siamese Neural Network (SNN) can outperform semi-supervised or unsupervised methods for anomaly prediction. One of the challenges associated with application of ML models to particle accelerators is the variability in observed data over time due to system configuration changes. We employ conditional models such as Conditional Siamese Neural Networks (CSNN), and Conditional-VAE (CVAE) to learn the variability in the data by using beam configuration parameters as conditional input. We apply these models for errant beam prediction at Spallation Neutron Source accelerator under different system configurations and compare their performance. We demonstrate that CSNN outperforms CVAE in our application. This talk will present the data source, collection, analysis, data-preparation, model development, hyper-parameter studies and the results.

Rajput, Kishansingh↗
NASA NTRS1991

Atmospheric effects on NOAA AVHRR data over Sahelian regions

Variable atmospheric conditions have a significant impact on satellite monitoring of vegetation in the Sahelian zone of Africa. The effects of atmospheric O3, H2O, and aerosols on spectral, directional reflectances and derived measures, such as the normalized difference vegetation index are discussed using a sensitivity study. An atmospheric correction scheme is presented based on measurements of optical thicknesses from the ground and is applied to NOAA AVHRR data. The use of the reflectance of the ocean surface close to the terrestrial target to estimate atmospheric effects on terrestrial reflectance is also discussed.

Soufflet, V.↗
DOE OSTI2021

Preliminary results of neutron and X-ray diffraction data collection on a lytic polysaccharide monooxygenase under reduced and acidic conditions

Lytic polysaccharide monooxygenases (LPMOs) are copper-center enzymes that are involved in the oxidative cleavage of the glycosidic bond in crystalline cellulose and other polysaccharides. The LPMO reaction is initiated by the addition of a reductant and oxygen to ultimately form an unknown activated copper–oxygen species that is responsible for polysaccharide-substrate H-atom abstraction. Given the sensitivity of metalloproteins to radiation damage, neutron protein crystallo­graphy provides a nondestructive technique for structural characterization while also informing on the positions of H atoms. Neutron cryo-crystallography permits the trapping of catalytic intermediates, thereby providing insight into the protonation states and chemical nature of otherwise short-lived species in the reaction mechanism. Here, to characterize the reaction-mechanism intermediates of LPMO9D from Neurospora crassa, a cryo-neutron diffraction data set was collected from an ascorbate-reduced crystal. A second neutron diffraction data set was collected at room temperature from an LPMO9D crystal exposed to low-pH conditions to probe the protonation states of ionizable groups involved in catalysis under acidic conditions.

Neurospora crassa↗
DOE OSTI2025

Predicting critical heat flux with uncertainty quantification and domain generalization using conditional variational autoencoders and deep neural networks

Deep generative models (DGMs) can generate synthetic data samples that closely resemble the original dataset, addressing data scarcity. In this work, we developed a conditional variational autoencoder (CVAE) to augment critical heat flux (CHF) data used for the 2006 Groeneveld lookup table. To compare with traditional methods, a fine-tuned deep neural network (DNN) regression model was evaluated on the same dataset. Both models achieved small mean absolute relative errors, with the CVAE showing more favorable results. Uncertainty quantification (UQ) was performed using repeated CVAE sampling and DNN ensembling. The DNN ensemble improved performance over the baseline, while the CVAE maintained consistent results with less variability and higher confidence. Both models achieved small errors inside and outside the training domain, with slightly larger errors outside. Altogether, the CVAE performed better than the DNN in predicting CHF and exhibited better uncertainty behavior.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1977

Total ozone derived from UV spectrophotometer measurements on the NASA CV-990 aircraft for the fall 1976 latitude survey flights

An ultraviolet interference filter spectrophotometer was modified to use a photodiode and was flown on latitude survey flights in the fall of 1976. Comparison with Dobson station total ozone values shows agreement between UVS and Dobson total ozone of + or - 2 percent. The procedure used to convert UVS measured ozone above the aircraft altitude to total ozone above ground level introduces an additional 2 percent deviation for very high altitude UVS ozone data. Under stable aircraft operating conditions, the UVS derived ozone values have a variability, or reproducibility, of better than + or -1 percent. The UVS data from the latitude survey flights yield a detailed latitude profile of total ozone over the Pacific Ocean during November 1976. Significant latitudinal structure in total ozone is found at the middle latitudes (30 deg to 40 deg N and S).

Hanser, F. A.↗
NASA NTRS1985

A Comparison of Terrestrial Saltation Flux in the Laboratory and the Field

Aeolian transport of surficial material is an important part of the terrestrial geologic cycle. In many areas of geological interest, sand is not transported by the wind at the rate predicted by studies made in idealized conditions. Furthermore, calculated surface-abrasion rates based on laboratory saltation fluxes are often unrealistically high. This work is an attempt to quantify and discuss discrepancies between saltation rates under ideal conditions and in the field under natural conditions. The saltation-flux data persented by Sharp (1) will be used as the field data. Sharp measured saltation flux during four periods in the early 1950's in the Whitewater River drainage. Meteorological conditions at the experiment site were extrapolated from the airport records and from wind speeds measured simultaneously by Hunter. Wind speeds above threshold were sorted into 4-MPH bins and the frequency of observation over each experimental period was calculated. A saltation flux for each bin was calculated and summed to yield a predicted saltation rate for that period. When the predicted fluxes were compared with those measured by Sharp, large discrepancies were found.

Williams, S. H.↗
NASA NTRS1990

Detecting Boundary-Layer Transition In Cold Environments

Transition-detection study conducted in Langley 0.3-Meter Transonic Cryogenic Tunnel, using specialized hot-film system designed specifically for use in cryogenic wind tunnels. Quantitative transition-location data obtained at nearly cryogenic conditions, 360 degree R (200 K) represents first definitive transition Reynolds numbers obtained in cryogenic wind tunnel. Multichannel data-acquisition system processes data from 40 hot-film sensors by use of desktop computer. Concept enables on-line determination of boundary-layer transition in such cryogenic wind tunnels as National Transonic Facility.

Johnson, C. B.↗
NASA NTRS1990

Mid- and low-latitude model of thermospheric emissions. I - O(+) (2P) 7320 A and N2 (2P) 3371 A

This paper presents an interhemispherically coupled model of airglow emissions of the O(+) (2P) metastable state (7320 A) and the 0-0 band of the N2 second positive system (3371 A), covering mid- and low-latitudes. The model produces volume emission rates as a function of altitude, latitude, longitude, and local time for any selected data and solar and magnetic conditions, and, thus, can be used to provide three-dimensional maps of the selected emission for comparison with data obtained from orbiting vehicles. The semiglobal graphical maps of the 7320 A and 3371 A emissions illustrate the seasonal, diurnal, and solar cyclic variations on a scale that covers mid- and low-latitudes, as well as the effects of interhemispheric coupling (conjugate photoelectrons). It is shown that, in both cases, conjugate photoelectrons result in excitation at mid- to high- nighttime-latitudes in the winter hemisphere.

Torr, Marsha R.↗
NASA NTRS1974

Model wall and recovery temperature effects on experimental heat transfer data analysis

Basic analytical procedures are used to illustrate, both qualitatively and quantitatively, the relative impact upon heat transfer data analysis of certain factors which may affect the accuracy of experimental heat transfer data. Inaccurate knowledge of adiabatic wall conditions results in a corresponding inaccuracy in the measured heat transfer coefficient. The magnitude of the resulting error is extreme for data obtained at wall temperatures approaching the adiabatic condition. High model wall temperatures and wall temperature gradients affect the level and distribution of heat transfer to an experimental model. The significance of each of these factors is examined and its impact upon heat transfer data analysis is assessed.

Throckmorton, D. A.↗
NASA NTRS2007

Smart Sensor Node Development, Testing and Implementation for Rocket Propulsion Systems

Successful design and implementation of an Integrated System Health Management (ISHM) approach for rocket propulsion systems requires the capability improve the reliability of complex systems by detecting and diagnosing problems. One of the critical elements in the ISHM is an intelligent sensor node for data acquisition that meets specific requirements for rocket motor testing including accuracy, sample rate and size/weight. Traditional data acquisition systems are calibrated in a controlled environment and guaranteed to perform bounded by their tested conditions. In a real world ISHM system, the data acquisition and signal conditioning needs to function in an uncontrolled environment. Development and testing of this sensor node focuses on a design with the ability to self check in order to extend calibration times, report internal faults and drifts and notify the overall system when the data acquisition is not performing as it should. All of this will be designed within a system that is flexible, requiring little re-design to be deployed on a wide variety of systems. Progress in this design and initial testing of prototype units will be reported.

Mengers, Timothy R.↗
DOE OSTI2025

Dual-Fuel Ammonia Equivalence Ratio Sweep Data

Ammonia (NH3) has garnered significant interest as an alternative fuel for meeting international emissions reduction mandates in sectors with high weight and distance requirements, such as shipping. Technical barriers and unanswered questions remain on the combustion strategies that can maximize ammonia utilization and minimize emissions. Prior research studies at the US Department of Energy’s Oak Ridge National Laboratory have shown strong performance with NH3 under dual-fuel mode using conventional diesel combustion (CDC) manifold air pressure settings. Diesel airflow was initially used to simplify retrofitting (no turbocharger modification), which resulted in air-fuel equivalence ratios (λ) greater than 1.5. To characterize potential improvements in dual-fuel NH3 combustion performance at richer in-cylinder conditions, a global λ sweep compared the use of early (E-pilot) and late (L-pilot) single diesel injections. The experiments were conducted at 1200 RPM and 12.8 ± 0.2 bar (75 % load), and λ was varied by decreasing the commanded air flow to the engine at greater than 90 % ammonia energy substitution level. A diesel injection timing sweep was conducted for both the injection strategies at fixed λ, and the timing with the lowest engine-out N2O emissions was identified. The results indicated an optimal balance between CO2,eq and thermal efficiency benefits both E-pilot and L-pilot injection strategy cases compared with CDC at a λ of 1.4. The indicated nitrogen-based emissions exhibited a strong correlation to the ratio of CA5–50 and ignition delay for L-pilot, but no apparent trend emerged for the E-pilot injection strategy at the tested boundary conditions. This dataset includes the raw experimental data and documentation of the experiment conditions and methods.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS2006

An Operational Configuration of the ARPS Data Analysis System to Initialize WRF in the NM'S Environmental Modeling System

The Weather Research and Forecasting (WRF) model is the next generation community mesoscale model designed to enhance collaboration between the research and operational sectors. The NM'S as a whole has begun a transition toward WRF as the mesoscale model of choice to use as a tool in making local forecasts. Currently, both the National Weather Service in Melbourne, FL (NWS MLB) and the Spaceflight Meteorology Group (SMG) are running the Advanced Regional Prediction System (AIRPS) Data Analysis System (ADAS) every 15 minutes over the Florida peninsula to produce high-resolution diagnostics supporting their daily operations. In addition, the NWS MLB and SMG have used ADAS to provide initial conditions for short-range forecasts from the ARPS numerical weather prediction (NWP) model. Both NM'S MLB and SMG have derived great benefit from the maturity of ADAS, and would like to use ADAS for providing initial conditions to WRF. In order to assist in this WRF transition effort, the Applied Meteorology Unit (AMU) was tasked to configure and implement an operational version of WRF that uses output from ADAS for the model initial conditions. Both agencies asked the AMU to develop a framework that allows the ADAS initial conditions to be incorporated into the WRF Environmental Modeling System (EMS) software. Developed by the NM'S Science Operations Officer (S00) Science and Training Resource Center (STRC), the EMS is a complete, full physics, NWP package that incorporates dynamical cores from both the National Center for Atmospheric Research's Advanced Research WRF (ARW) and the National Centers for Environmental Prediction's Non-Hydrostatic Mesoscale Model (NMM) into a single end-to-end forecasting system. The EMS performs nearly all pre- and postprocessing and can be run automatically to obtain external grid data for WRF boundary conditions, run the model, and convert the data into a format that can be readily viewed within the Advanced Weather Interactive Processing System. The EMS has also incorporated the WRF Standard Initialization (SI) graphical user interface (GUT), which allows the user to set up the domain, dynamical core, resolution, etc., with ease. In addition to the SI GUT, the EMS contains a number of configuration files with extensive documentation to help the user select the appropriate input parameters for model physics schemes, integration timesteps, etc. Therefore, because of its streamlined capability, it is quite advantageous to configure ADAS to provide initial condition data to the EMS software. One of the biggest potential benefits of configuring ADAS for ingest into the EMS is that the analyses could be used to initialize either the ARW or NMM. Currently, the ARPS/ADAS software has a conversion routine only for the ARW dynamical core. However, since the NIvIM runs about 2.5 times faster than the ARW, it is quite advantageous to be able to run an ADAS/NMM configuration operationally due to the increased efficiency.

Case, Jonathan↗
NASA NTRS2008

Development of Solar Wind Model Driven by Empirical Heat Flux and Pressure Terms

We are developing a time stationary self-consistent 2D MHD model of the solar corona and solar wind as suggested by Sittler et al. (2003). Sittler & Guhathakurta (1999) developed a semiempirical steady state model (SG model) of the solar wind in a multipole 3-streamer structure, with the model constrained by Skylab observations. Guhathakurta et al. (2006) presented a more recent version of their initial work. Sittler et al. (2003) modified the SG model by investigating time dependent MHD, ad hoc heating term with heat conduction and empirical heating solutions. Next step of development of 2D MHD models was performed by Sittler & Ofman (2006). They derived effective temperature and effective heat flux from the data-driven SG model and fit smooth analytical functions to be used in MHD calculations. Improvements of the Sittler & Ofman (2006) results now show a convergence of the 3-streamer topology into a single equatorial streamer at altitudes > 2 R(sub S). This is a new result and shows we are now able to reproduce observations of an equatorially confined streamer belt. In order to allow our solutions to be applied to more general applications, we extend that model by using magnetogram data and PFSS model as a boundary condition. Initial results were presented by Selwa et al. (2008). We choose solar minimum magnetogram data since during solar maximum the boundary conditions are more complex and the coronal magnetic field may not be described correctly by PFSS model. As the first step we studied the simplest 2D MHD case with variable heat conduction, and with empirical heat input combined with empirical momentum addition for the fast solar wind. We use realistic magnetic field data based on NSO/GONG data, and plan to extend the study to 3D. This study represents the first attempt of fully self-consistent realistic model based on real data and including semi-empirical heat flux and semi-empirical effective pressure terms.

Sittler, Edward C., Jr.↗
DOE OSTI2020

Observation of Ion Electrosorption in Metal–Organic Framework Micropores with In Operando Small-Angle Neutron Scattering

A molecular-level understanding of transport and adsorption mechanisms of electrolyte ions in nanoporous electrodes under applied potentials is essential to control the performance of double-layer capacitors. In this paper, in operando small-angle neutron scattering (SANS) is used to directly detect ion movements into the nanopores of a conductive metal–organic framework (MOF) electrode under operating conditions. Neutron-scattering data reveals that most of the void space within the MOF is accessible to the solvent. Upon the addition of the electrolyte sodium triflate (NaOTf), the ions are adsorbed on the outer surface of the protrusions to form a 30 Å layer instead of entering the ionophobic pores in the absence of an applied charging potential. The changes in scattering intensity when potentials are applied suggests the ion rearrangement in the micropores following different mechanisms depending on the electrode polarization. These observations shed insights on ion electrosorption in electrode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Virtual sensing of wind turbine hub loads and drivetrain fatigue damage, Virtuelle Sensoren für die Messung von Hauptwellenlasten und Ermüdungsschäden im Antriebstrang von Windenergieanlagen

Abstract: This paper presents a Digital Twin for virtual sensing of wind turbine aerodynamic hub loads, as well as monitoring the accumulated fatigue damage and remaining useful life in drivetrain bearings based on measurements of the Supervisory Control and Data Acquisition (SCADA) and the drivetrain condition monitoring system (CMS). The aerodynamic load estimation is realized with data-driven regression models, while the estimation of local bearing loads and damage is conducted with physics-based, analytical models. Field measurements of the DOE 1.5 research turbine are used for model training and validation. The results show low errors of 6.4% and 1.1% in the predicted damage at the main and the generator side high-speed bearing respectively. Zusammenfassung: In diesem Aufsatz wird ein digitaler Zwilling für Windenergieanlagen vorgestellt, welcher die virtuelle Erfassung der Hauptwellenlasten und die Zustandsüberwachung von Ermüdungschäden und der verbleibende Nutzungsdauer der Antriebsstranglager ermöglicht. Der digital Zwilling nutzt Messdaten des Supervisory Control and Data Acquisition (SCADA) Systems und des Zustandsüberwachungssystems des Antriebsstranges (CMS). Die Berechnung der Hauptwellenlasten ist mit datenbasierten Regressionsmodellen umgesetzt, während die Berechnung der Lagerkräfte und der Ermüdungsschaden mit physikbasierten Modelle durchgeführt wird. Für die Modellentwicklung und -validierung werden Feldmessdaten der DOE 1.5MW Turbine eingesetzt. Die Abweichungen in den Ermüdungsschäden am Hauptwellenlager und am Generatorwellenlager betragen lediglich 6,4% beziehungsweise 1,1%.

17 WIND ENERGY↗
DOE OSTI2022

Estimation of the Surface Fluxes for Heat and Momentum in Unstable Conditions with Machine Learning and Similarity Approaches for the LAFE Data Set

Abstract Measurements of three flux towers operated during the land atmosphere feedback experiment (LAFE) are used to investigate relationships between surface fluxes and variables of the land–atmosphere system. We study these relations by means of two machine learning (ML) techniques: multilayer perceptrons (MLP) and extreme gradient boosting (XGB). We compare their flux derivation performance with Monin–Obukhov similarity theory (MOST) and a similarity relationship using the bulk Richardson number (BRN). The ML approaches outperform MOST and BRN. Best agreement with the observations is achieved for the friction velocity. For the sensible heat flux and even more so for the latent heat flux, MOST and BRN deviate from the observations while MLP and XGB yield more accurate predictions. Using MOST and BRN for latent heat flux, the root mean square errors (RMSE) are 107 Wm $$^{-2}$$ - 2 and 121 Wm $$^{-2}$$ - 2 , respectively, as well as the intercepts of the regression lines are $$\approx 110$$ ≈ 110 Wm $$^{-2}$$ - 2 . For the ML methods, the RMSEs reduce to 31 Wm $$^{-2}$$ - 2 for MLP and 33 Wm $$^{-2}$$ - 2 for XGB as well as the intercepts to just 4 Wm $$^{-2}$$ - 2 for MLP and $$-1$$ - 1 Wm $$^{-2}$$ - 2 for XGB with slopes of the regression lines close to 1, respectively. These results indicate significant deficiencies of MOST and BRN, particularly for the derivation of the latent heat flux. In fact, in contrast to the established theories, feature importance weighting demonstrates that the ML methods base their improved derivations on net radiation, the incoming and outgoing shortwave radiations, the air temperature gradient, and the available water contents, but not on the water vapor gradient. The results imply that further studies of surface fluxes and other turbulent variables with ML techniques provide great promise for deriving advanced flux parameterizations and their implementation in land–atmosphere system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Causality guided machine learning model on wetland CH 4 emissions across global wetlands

Wetland CH 4 emissions are among the most uncertain components of the global CH 4 budget. The complex nature of wetland CH 4 processes makes it challenging to identify causal relationships for improving our understanding and predictability of CH 4 emissions. In this study, we used the flux measurements of CH 4 from eddy covariance towers (30 sites from 4 wetlands types: bog, fen, marsh, and wet tundra) to construct a causality-constrained machine learning (ML) framework to explain the regulative factors and to capture CH 4 emissions at sub-seasonal scale. We found that soil temperature is the dominant factor for CH 4 emissions in all studied wetland types. Ecosystem respiration (CO 2 ) and gross primary productivity exert controls at bog, fen, and marsh sites with lagged responses of days to weeks. Integrating these asynchronous environmental and biological causal relationships in predictive models significantly improved model performance. More importantly, modeled CH 4 emissions differed by up to a factor of 4 under a +1°C warming scenario when causality constraints were considered. These results highlight the significant role of causality in modeling wetland CH 4 emissions especially under future warming conditions, while traditional data-driven ML models may reproduce observations for the wrong reasons. Our proposed causality-guided model could benefit predictive modeling, large-scale upscaling, data gap-filling, and surrogate modeling of wetland CH 4 emissions within earth system land models.

54 ENVIRONMENTAL SCIENCES↗