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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Atomistic measurement and modeling of intrinsic fracture toughness of two-dimensional materials

Quantifying the intrinsic mechanical properties of two-dimensional (2D) materials is essential to predict the long-term reliability of materials and systems in emerging applications ranging from energy to health to next-generation sensors and electronics. Currently, measurements of fracture toughness and identification of associated atomistic mechanisms remain challenging. Herein, we report an integrated experimental–computational framework in which in-situ high-resolution transmission electron microscopy (HRTEM) measurements of the intrinsic fracture energy of monolayer MoS 2 and MoSe 2 are in good agreement with atomistic model predictions based on an accurately parameterized interatomic potential. Changes in crystalline structures at the crack tip and crack edges, as observed in in-situ HRTEM crack extension tests, are properly predicted. Such a good agreement is the result of including large deformation pathways and phase transitions in the parameterization of the inter-atomic potential. The established framework emerges as a robust approach to determine the predictive capabilities of molecular dynamics models employed in the screening of 2D materials, in the spirit of the materials genome initiative. Moreover, it enables device-level predictions with superior accuracy (e.g., fatigue lifetime predictions of electro- and opto-electronic nanodevices).

Zhang, Xu↗
DOE OSTI2023

Ultrafast radiographic imaging and tracking: An overview of instruments, methods, data, and applications

Ultrafast radiographic imaging and tracking (U-RadIT) use state-of-the-art ionizing particle and light sources to experimentally study sub-nanosecond transients or dynamic processes in physics, chemistry, biology, geology, materials science and other fields. These processes are fundamental to modern technologies and applications, such as nuclear fusion energy, advanced manufacturing, communication, and green transportation, which often involve one mole or more atoms and elementary particles, and thus are challenging to compute by using the first principles of quantum physics or other forward models. One of the central problems in U-RadIT is to optimize information yield through, e.g. high-luminosity X-ray and particle sources, efficient imaging and tracking detectors, novel methods to collect data, and large-bandwidth online and offline data processing, regulated by the underlying physics, statistics, and computing power. We review and highlight recent progress in: (a.) Detectors such as high-speed complementary metal-oxide semiconductor (CMOS) cameras, hybrid pixelated array detectors integrated with Timepix4 and other application-specific integrated circuits (ASICs), and digital photon detectors; (b.) U-RadIT modalities such as dynamic phase contrast imaging, dynamic diffractive imaging, and four-dimensional (4D) particle tracking; (c.) U-RadIT data and algorithms such as neural networks and machine learning, and (d.) Applications in ultrafast dynamic material science using XFELs, synchrotrons and laser-driven sources. Hardware-centric approaches to U-RadIT optimization are constrained by detector material properties, low signal-to-noise ratio, high cost and long development cycles of critical hardware components such as ASICs. Interpretation of experimental data, including comparisons with forward models, is frequently hindered by sparse measurements, model and measurement uncertainties, and noise. Alternatively, U-RadIT make increasing use of data science and machine learning algorithms, including experimental implementations of compressed sensing. Machine learning and artificial intelligence approaches, refined by physics and materials information, may also contribute significantly to data interpretation, uncertainty quantification and U-RadIT optimization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

PickerXL, A Large Deep Learning Model to Measure Arrival Times from Noisy Seismic Signals

Precisely measuring seismic arrival times is a labor-intensive task but is critical for both earthquake monitoring and subsurface imaging. Recently published deep learning models have demonstrated superior performance compared to traditional automatic approaches for picking arrival times. Although existing deep learning models have shown promising results, further advancements are necessary as their performance is not yet satisfactory especially when applied to new regions and station networks. Increasing model size has led to improved performance in other machine learning applications. Here, we aimed to investigate whether enlarging deep learning models can increase performance on accepted benchmarks. We trained three models of varying sizes, small (1X), medium (4X), and large (16X), using globally distributed local and regional earthquake signals and background noise waveforms from a benchmark dataset, Stanford Earthquake Dataset. Our results indicate that the largest model (PickerXL) outperforms both the smaller models and Seisbench implementation of the PhaseNet model, which has the same number of parameters as our small model. The PickerXL model’s enhanced capacity to extract complex patterns from seismograms contributes to its superior arrival picking abilities compared to the smaller model.

Chai, Chengping [Oak Ridge National Laboratory (OR↗
DOE OSTI2023

Plating and Stripping of Lithium Metal Stabilized by a Block Copolymer Electrolyte: Local Current Density Measurement and Modeling

Here, plating and stripping of lithium protrusions in lithium metal symmetric cells containing a solid block copolymer electrolyte was studied as a function of time in 3D using time-resolved X-ray tomography. These measurements enabled determination of the spatial variation in current densities at the plating and stripping electrodes. The initial interelectrode distance was 27 μm. Correlation functions were calculated to reveal the relationships between current densities at the two electrodes and local electrolyte thickness. Current densities at opposing electrode locations during protrusion growth is uncorrelated until the local interelectrode distance decreases to less than 6 μm, just before the cell shorts. Mass balance was used to determine the area from which lithium ions that form a protrusion were stripped. Computational modeling of the plating and stripping process reveals the interplay between electrochemical and mechanical driving forces and their effect on nonuniform current distribution. Model predictions were compared with experiments without resorting to any adjustable parameters. The computed correlation functions were in qualitative agreement with experiments. Finally, the model was used to calculate contour plots of electrochemical potential within the electrolyte, shedding light on how geometry, salt concentration, interelectrode distance, and mechanical stress influence local rates of electrochemical reaction.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Effect of a simulated glaze ice shape on the aerodynamic performance of a rectangular wing

The effect of a simulated glaze-ice accretion on the flowfield of a 3D wing is studied experimentally. The model used for these tests was a semispan wing of effective aspect ratio five, mounted from the sidewall of a subsonic wind tunnel. The model has a NACA 0012 airfoil section on a rectangular untwisted planform with interchangeable leading edges to allow for testing both the baseline and the iced-wing geometry. A four-beam two-color fiberoptic laser Doppler velocimeter (LDV) was used to map the flowfield along three spanwise cuts on the model. Measurements on the centerline of the clean model compared favorably with theory and centerline measurements on the iced model compared well with measurements on a similar 2D model. The flow has the largest separation bubble at the model midspan with the smallest separation bubble occurring near the root and the wing tip.

Khodadoust, Abdi↗
NASA NTRS2001

Bio-Optical Measurement and Modeling of the California Current and Polar Oceans

This Sensor Intercomparison and Merger for Biological and Interdisciplinary Oceanic Studies (SIMBIOS) project contract supports in situ ocean optical observations in the California Current, Southern Ocean, Indian Ocean as well as merger of other in situ data sets we have collected on various global cruises supported by separate grants or contracts. The principal goals of our research are to validate standard or experimental products through detailed bio-optical and biogeochemical measurements, and to combine ocean optical observations with advanced radiative transfer modeling to contribute to satellite vicarious radiometric calibration and advanced algorithm development. In collaboration with major oceanographic ship-based observation programs funded by various agencies (CalCOFI, US JGOFS, NOAA AMLR, INDOEX and Japan/East Sea) our SIMBIOS effort has resulted in data from diverse bio-optical provinces. For these global deployments we generate a high-quality, methodologically consistent, data set encompassing a wide-range of oceanic conditions. Global data collected in recent years have been integrated with our on-going CalCOFI database and have been used to evaluate Sea-Viewing Wide Field-of-view Sensor (SeaWiFS) algorithms and to carry out validation studies. The combined database we have assembled now comprises more than 700 stations and includes observations for the clearest oligotrophic waters, highly eutrophic blooms, red-tides and coastal case two conditions. The data has been used to validate water-leaving radiance estimated with SeaWiFS as well as bio optical algorithms for chlorophyll pigments. The comprehensive data is utilized for development of experimental algorithms (e.g., high-low latitude pigment transition, phytoplankton absorption, and cDOM).

Mitchell, B. Greg↗
DOE OSTI2024

Predicting synthetic mRNA stability using massively parallel kinetic measurements, biophysical modeling, and machine learning

Abstract mRNA degradation is a central process that affects all gene expression levels, though it remains challenging to predict the stability of a mRNA from its sequence, due to the many coupled interactions that control degradation rate. Here, we carried out massively parallel kinetic decay measurements on over 50,000 bacterial mRNAs, using a learn-by-design approach to develop and validate a predictive sequence-to-function model of mRNA stability. mRNAs were designed to systematically vary translation rates, secondary structures, sequence compositions, G-quadruplexes, i-motifs, and RppH activity, resulting in mRNA half-lives from about 20 seconds to 20 minutes. We combined biophysical models and machine learning to develop steady-state and kinetic decay models of mRNA stability with high accuracy and generalizability, utilizing transcription rate models to identify mRNA isoforms and translation rate models to calculate ribosome protection. Overall, the developed model quantifies the key interactions that collectively control mRNA stability in bacterial operons and predicts how changing mRNA sequence alters mRNA stability, which is important when studying and engineering bacterial genetic systems.

Cetnar, Daniel P.↗
NASA NTRS1996

Measurements and Modeling of Soot Formation and Radiation in Microgravity Jet Diffusion Flames

This is a computational and experimental study for soot formation and radiative heat transfer in jet diffusion flames under normal gravity (1-g) and microgravity (0-g) conditions. Instantaneous soot volume fraction maps are measured using a full-field imaging absorption technique developed by the authors. A compact, self-contained drop rig is used for microgravity experiments in the 2.2-second drop tower facility at NASA Lewis Research Center. On modeling, we have coupled flame structure and soot formation models with detailed radiation transfer calculations. Favre-averaged boundary layer equations with a k-e-g turbulence model are used to predict the flow field, and a conserved scalar approach with an assumed Beta-pdf are used to predict gaseous species mole fraction. Scalar transport equations are used to describe soot volume fraction and number density distributions, with formation and oxidation terms modeled by one-step rate equations and thermophoretic effects included. An energy equation is included to couple flame structure and radiation analyses through iterations, neglecting turbulence-radiation interactions. The YIX solution for a finite cylindrical enclosure is used for radiative heat transfer calculations. The spectral absorption coefficient for soot aggregates is calculated from the Rayleigh solution using complex refractive index data from a Drude- Lorentz model. The exponential-wide-band model is used to calculate the spectral absorption coefficient for H20 and C02. It is shown that when compared to results from true spectral integration, the Rosseland mean absorption coefficient can provide reasonably accurate predictions for the type of flames studied. The soot formation model proposed by Moss, Syed, and Stewart seems to produce better fits to experimental data and more physically sound than the simpler model by Khan et al. Predicted soot volume fraction and temperature results agree well with published data for a normal gravity co-flow laminar flames and turbulent jet flames. Predicted soot volume fraction results also agree with our data for 1-g and 0-g laminar jet names as well as 1-g turbulent jet flames.

Ku, Jerry C.↗
NASA NTRS2016

Tropospheric Ozone Source Attribution in Southern California during Summer 2014 Based on Lidar Measurements and Model Simulations

In the past decades, significant efforts have been made to increase tropospheric ozone long-term monitoring. A large number of ground-based, airborne and space-borne instruments are currently providing valuable data to contribute to better understand tropospheric ozone budget and variability. Nonetheless, most of these instruments provide in-situ surface and column-integrated data, whereas vertically resolved measurements are still scarce. Besides ozonesondes and aircraft, lidar measurements have proven to be valuable tropospheric ozone profilers. Using the measurements from the tropospheric ozone differential absorption lidar (DIAL) located at the JPL Table Mountain Facility, California, and the GEOS-Chem and GEOS-5 model outputs, the impact of the North American monsoon on tropospheric ozone during summer 2014 is investigated. The influence of the Monsoon lightning-induced NOx will be evaluated against other sources (e.g. local anthropogenic emissions and the stratosphere) using also complementary data such as backward-trajectories analysis, coincident water vapor lidar measurements, and surface ozone in-situ measurements.

Lidar↗
NASA NTRS1988

Measuring and modeling near surface reflected and emitted radiation fluxes at the FIFE site

Research was conducted during the four Intensive Field Campaigns (IFC) of the FIFE project in 1987. The research was done on a tall grass prairie with specific measurement sites on and near the Konza Prairie in Kansas. Measurements were made to help meet the following objectives: determination of the variability in reflected and emitted radiation fluxes in selected spectral wavebands as a function of topography and vegetative community; development of techniques to account for slope and sun angle effects on the radiation fluxes; estimation of shortwave albedo and net radiation fluxes using the reflected and emitted spectral measurements described; estimation of leaf and canopy spectral properties from calculated normalized differences coupled with off-nadir measurements using inversion techniques; estimation of plant water status at several locations with indices utilizing plant temperature and other environmental parameters; and determination of relationships between estimated plant water status and measured soil water content. Results are discussed.

Blad, Blaine L.↗
DOE OSTI2024

Uncertainty Propagation from Experiment Measurements to Modeling Approaches: A Case for SMR Steam Entrainment Testing

To license new and advanced reactor designs, regulators must be convinced that their unique safety cases—relative to existing large scale reactors—have been adequately addressed by the designed reactor protection systems. In water cooled small modular reactors (SMRs), droplet entrainment in steam flow has significant implications on the progression of accident scenarios due to its compact design features, which requires representative test data applicable to SMR designs. Computer code, modeling and simulation (M&S) tools and models require adequate verification, assessment, and qualification. This includes M&S results validation against scaled empirical data within allowable uncertainty bands to gain regulatory approvals during the various stages of reactor system design, demonstration, and commercialization. However, measurement uncertainty within the empirical datasets and test data applicability ranges requires careful consideration of M&S inputs (i.e., boundary conditions, and initial conditions), and verification and validation efforts. This study focuses on uncertainty quantification in designing scaled test facilities for SMR applications with appropriate measurements and a standard data-reduction method to estimate thermal hydraulics characteristics parameters that incorporate physics phenomena of interest. In addition, this study supports the evaluation model development and assessment process using M&S that interfaces with advanced computing tools and digital twin capabilities. This will allow synchronization between experiment and modeling approaches for droplet entrainment testing and analysis, improving diagnostics, prognostics, and decision-making to accelerate regulatory approval.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1985

Modeling and measurement of fault-tolerant multiprocessors

The workload effects on computer performance are addressed first for a highly reliable unibus multiprocessor used in real-time control. As an approach to studing these effects, a modified Stochastic Petri Net (SPN) is used to describe the synchronous operation of the multiprocessor system. From this model the vital components affecting performance can be determined. However, because of the complexity in solving the modified SPN, a simpler model, i.e., a closed priority queuing network, is constructed that represents the same critical aspects. The use of this model for a specific application requires the partitioning of the workload into job classes. It is shown that the steady state solution of the queuing model directly produces useful results. The use of this model in evaluating an existing system, the Fault Tolerant Multiprocessor (FTMP) at the NASA AIRLAB, is outlined with some experimental results. Also addressed is the technique of measuring fault latency, an important microscopic system parameter. Most related works have assumed no or a negligible fault latency and then performed approximate analyses. To eliminate this deficiency, a new methodology for indirectly measuring fault latency is presented.

Shin, K. G.↗
NASA NTRS2008

The Lunar Potential Determination Using Apollo-Era Data and Modern Measurements and Models

Since the Apollo era the electric potential of the Moon has been a subject of interest and debate. Deployed by three Apollo missions, Apollo 12, Apollo 14 and Apollo 15, the Suprathermal Ion Detector Experiment (SIDE) determined the sunlit lunar surface potential to be about +10 Volts using the energy spectra of lunar ionospheric thermal ions accelerated toward the Moon. More recently, the Lunar Prospector (LP) Electron Reflectometer used electron distributions to infer negative lunar surface potentials, primarily in shadow. We will present initial results from a study to combine lunar surface potential measurements from both SIDE and the LP/Electron Reflectometer to calibrate an advanced model of lunar surface charging which includes effects from the plasma environment, photoemission, secondaries ejected by ion impact onto the lunar surface, and the lunar wake created downstream by the solar wind-lunar interaction.

Collier, Michael R.↗
NASA NTRS1993

A Novel Method for Characterization of Superconductors: Physical Measurements and Modeling of Thin Films

A method for characterization of granular superconducting thin films has been developed which encompasses both the morphological state of the sample and its fabrication process parameters. The broad scope of this technique is due to the synergism between experimental measurements and their interpretation using numerical simulation. Two novel technologies form the substance of this system: the magnetically modulated resistance method for characterizing superconductors; and a powerful new computer peripheral, the Parallel Information Processor card, which provides enhanced computing capability for PC computers. This enhancement allows PC computers to operate at speeds approaching that of supercomputers. This makes atomic scale simulations possible on low cost machines. The present development of this system involves the integration of these two technologies using mesoscale simulations of thin film growth. A future stage of development will incorporate atomic scale modeling.

Kim, B. F.↗
NASA NTRS2000

Measurements and Modeling of Aerosol Absorption and Single Scattering Albedo at Ambient Relative Hum

Uncertainties in the aerosol single scattering albedo have been identified to be an important source of errors in current large-scale model estimates of the direct aerosol radiative forcing of climate. A number of investigators have obtained estimates of the single scattering albedo from a variety of remote sensing and in situ measurements during aerosol field experiments. During the Tropospheric Aerosol Radiative Forcing Observational Experiment (TARFOX, 1996) for example, estimates of the aerosol single scattering albedo were obtained (1) as a best-fit parameter in comparing radiative flux changes measured by airborne pyranometer to those computed from independently measured aerosol properties; (2) from estimates of the aerosol complex index of refraction derived using a combination of airborne sunphotometer, lidar backscatter and in situ size distribution measurements; and (3) from airborne measurements of aerosol scattering and absorption using nephelometers and absorption photometers. In this paper, we briefly compare the results of the latter two methods for two TARFOX case studies, since those techniques provide height-resolved information about the aerosol single scattering albedo. Estimates of the aerosol single scattering albedo from nephelometer and absorption photometer measurements require knowledge of the scattering and absorption humidification (i.e., the increase in these properties in response to an increase in ambient relative humidity), since both measurements are usually carried out at a relative humidity different from the ambient atmosphere. In principle, the scattering humidification factor can be measured, but there is currently no technique widely available to measure the absorption of an aerosol sample as a function of relative humidity. Frequently, for lack of better knowledge, the absorption humidification is assumed to be unity (meaning that there is no change in aerosol absorption due to an increase in ambient relative humidity). This assumption then enters the estimate of the single scattering albedo at ambient relative humidity. To investigate the validity of this assumption we have carried out modeling studies of the absorption humidification factor, assuming that the aerosols contain an insoluble soot core and a coating which determines its hygroscopic growth behavior. The aerosol optical properties are then computed on the basis of the shell/core particle morphology using a Mie-code for concentric shells. From basic physical principles, it is conceivable that aerosol absorption increases when an atmospheric aerosol particle collects a non-absorbing shell, since the soot core is then exposed to an increased (focused) electric field strength. Indeed, our preliminary modeling studies show that the absorption of an atmospheric aerosol particle composed of a soot core and an aqueous sulfuric acid shell may increase by a factor of 50% due to a change in ambient relative humidity from 30 to 95%. We will show how this increased absorption is a function of the initial particle size and soot mass fraction.

Redemann, J.↗
DOE OSTI2024

Measuring and modeling soil moisture and runoff at solar farms using a disconnected impervious surface approach

Abstract Ground‐mounted photovoltaic sites are often treated as impervious surfaces in stormwater permits. This ignores the pervious soils beneath and between solar arrays and leads to an overestimation of runoff. Our objective was to improve solar farm stormwater hydrology models by explicitly considering the disconnected impervious nature of solar design and site characteristics. Experimental sites established on utility scale solar farms in Colorado, Georgia, Minnesota, New York, and Oregon had perennial vegetative plantings with mean precipitation ranging from 40.6 to 124.5 cm, and soil texture ranging from loamy sand to clay. Soil moisture measurements were collected beneath arrays, under drip edges, and in the vegetated area between arrays at each site. Hydrus‐3D models for soil moisture and stormwater hydrology were developed that accounted for precipitation falling on solar panels, drip edge redistribution of rainfall, infiltration, and runoff in the pervious areas between solar arrays and beneath panels. Drip edge runoff averaged 3‐ to 10‐times incident precipitation at the New York and Minnesota sites, respectively. Root mean square error values between measured sub‐hourly soil moisture and predicted moisture for large measured single storm events averaged 0.029 across all five sites. Predicted runoff depths were strongly affected by precipitation depth, soil texture, soil profile depth, and soil bulk density. Runoff depths across the five experimental sites averaged 13%, 25%, and 45% of the 2‐, 10‐, and 100‐year design storm depths, clearly showing that these solar farms do not behave like impervious surfaces, but rather as disconnected impervious surfaces with substantial infiltration of runoff in the vegetated areas between and beneath solar arrays.

Agriculture↗
DOE OSTI2021

Fabrication, Measurement, and Modeling of GaInP/GaAs Three-Terminal Cells and Strings

Three-terminal (3T) GaInP/GaAs solar cells are fabricated from inverted-grown monolithic tandems and processed with external metal contacts suitable for easy interconnection. Prototype 3T tandems both with and without tunnel junctions are demonstrated. They are characterized as a function of two independent variables in a variety of configurations, with each configuration holding one of the contacts common to two source-meter units (SMUs). Each of these different measurement configurations completely characterizes the device by transforming the results into 6 unique device parameters and plotting the total power parametrically in two dimensions. The performance is fit using a 3T optoelectronic model that includes luminescent coupling as well as important resistances. Eight of these devices are interconnected in various voltage-constrained configurations to form voltage-matched (VM) strings. Measurement and analysis of these III-V devices and strings are generally applicable to all 3T photovoltaics.

photovoltaics↗
NASA NTRS2006

Forecast, Measurement, and Modeling of an Unprecedented Polar Ozone Filament Event over Mauna Loa Observatory, Hawaii

In mid-March 2005 the northern lower stratospheric polar vortex experienced a severe stretching episode, bringing a large polar filament far south of Alaska toward Hawaii. This meridional intrusion of rare extent, coinciding with the polar vortex final warming and breakdown, was followed by a zonal stretching in the wake of the easterly propagating subtropical main flow. This caused polar air to remain over Hawaii for several days before diluting into the subtropics. After being successfully forecasted to pass over Hawaii by the high-resolution potential vorticity advection model Modele Isentrope du transport Meso-echelle de l'Ozone Stratospherique par Advection (MIMOSA), the filament was observed on isentropic surfaces between 415 K and 455 K (17-20 km) by the Jet Propulsion Laboratory stratospheric ozone lidar measurements at Mauna Loa Observatory, Hawaii, between 16 and 19 March 2005. It was materialized as a thin layer of enhanced ozone peaking at 1.6 ppmv in a region where the climatological values usually average 1.0 ppmv. These values were compared to those obtained by the three dimensional Chemistry-Transport Model MIMOSA-CHIM. Agreement between lidar and model was excellent, particularly in the similar appearance of the ozone peak near 435 K (18.5 km) on 16 March, and the persistence of this layer at higher isentropic levels for the following three days. Passive ozone, also modeled by MIMOSA-CHIM, was at about 3-4 ppmv inside the filament while above Hawaii. A detailed history of the modeled chemistry inside the filament suggests that the air mass was still polar ozone- depleted when passing over Hawaii. The filament quickly separated from the main vortex after its Hawaiian overpass. It never reconnected and, in less than 10 days, dispersed entirely in the subtropics.

atmospheric processes↗