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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Machine learned features from density of states for accurate adsorption energy prediction

Materials databases generated by high-throughput computational screening, typically using density functional theory (DFT), have become valuable resources for discovering new heterogeneous catalysts, though the computational cost associated with generating them presents a crucial roadblock. Hence there is a significant demand for developing descriptors or features, in lieu of DFT, to accurately predict catalytic properties, such as adsorption energies. Here, we demonstrate an approach to predict energies using a convolutional neural network-based machine learning model to automatically obtain key features from the electronic density of states (DOS). The model, DOSnet, is evaluated for a diverse set of adsorbates and surfaces, yielding a mean absolute error on the order of 0.1 eV. In addition, DOSnet can provide physically meaningful predictions and insights by predicting responses to external perturbations to the electronic structure without additional DFT calculations, paving the way for the accelerated discovery of materials and catalysts by exploration of the electronic space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The three major axes of terrestrial ecosystem function

The leaf economics spectrum and the global spectrum of plant forms and functions revealed fundamental axes of variation in plant traits, which represent different ecological strategies that are shaped by the evolutionary development of plant species. Ecosystem functions depend on environmental conditions and the traits of species that comprise the ecological communities. However, the axes of variation of ecosystem functions are largely unknown, which limits our understanding of how ecosystems respond as a whole to anthropogenic drivers, climate and environmental variability. Here we derive a set of ecosystem functions from a dataset of surface gas exchange measurements across major terrestrial biomes. We find that most of the variability within ecosystem functions (71.8%) is captured by three key axes. The first axis reflects maximum ecosystem productivity and is mostly explained by vegetation structure. The second axis reflects ecosystem water-use strategies and is jointly explained by variation in vegetation height and climate. The third axis, which represents ecosystem carbon-use efficiency, features a gradient related to aridity, and is explained primarily by variation in vegetation structure. We show that two state-of-the-art land surface models reproduce the first and most important axis of ecosystem functions. However, the models tend to simulate more strongly correlated functions than those observed, which limits their ability to accurately predict the full range of responses to environmental changes in carbon, water and energy cycling in terrestrial ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Challenging a Global Land Surface Model in a Local Socio-Environmental System

Land surface models (LSMs) predict how terrestrial fluxes of carbon, water, and energy change with abiotic drivers to inform the other components of Earth system models. Here, we focus on a single human-dominated watershed in southwestern Michigan, USA. We compare multiple processes in a commonly used LSM, the Community Land Model (CLM), to observational data at the single grid cell scale. For model inputs, we show correlations (Pearson’s R) ranging from 0.46 to 0.81 for annual temperature and precipitation, but a substantial mismatch between land cover distributions and their changes over time, with CLM correctly representing total agricultural area, but assuming large areas of natural grasslands where forests grow in reality. For CLM processes (outputs), seasonal changes in leaf area index (LAI; phenology) do not track satellite estimates well, and peak LAI in CLM is nearly double the satellite record (5.1 versus 2.8). Estimates of greenness and productivity, however, are more similar between CLM and observations. Summer soil moisture tracks in timing but not magnitude. Land surface reflectance (albedo) shows significant positive correlations in the winter, but not in the summer. Looking forward, key areas for model improvement include land cover distribution estimates, phenology algorithms, summertime radiative transfer modelling, and plant stress responses.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

Analytical and numerical investigation of structural response of compliant wall materials

Surface motion of compliant walls in drag reduction experiments was analyzed. The spectrum of surface motion indicates that membranes over deep cavities respond at low frequencies and large wavelengths. The membrane over a deep cavity is therefore found not to yield the desired reponse predicted by the postulated mechanism. The membrane over a thin air gap is found to act as a wavelength chopper, and analysis of the nonlinear response of the compliant surface indicates its possible suitability for compliant wall experiments. Periodic structures are found to lock in the desired wavelengths of motion. Laminated structures are found to be very ineffective as compliant models, except when there is no bonding between the membrane and the backing. Computer programs developed for these analyses are documented.

Goglia, G. L.↗
NASA NTRS1984

The balance of kinetic and total energy simulated by the OSU two-level atmospheric general circulation model for January and July

A three-year simulation which prescribes seasonally varying solar radiation and sea surface temperature is the basis of the present study of the horizontal structure of the balances of kinetic and total energy simulated by Oregon State University's two-level atmospheric general circulation model. Mechanisms responsible for the local energy changes are identified, and the energy balance requirement's fulfilment is examined. In January, the vertical integral of the total energy shows large amounts of external heating over the North Pacific and Atlantic, together with cooling over most of the land area of the Northern Hemisphere. In July, an overall seasonal reversal is found. Both seasons are also characterized by strong energy flux divergence in the tropics, in association with the poleward transport of heat and momentum.

Wang, J.-T.↗
NASA NTRS1986

Microwave backscatter coefficients of artificially grown first-year sea ice

The radar backscattering coefficient of simulated first year sea ice was measured at 5.2, 9.6, 13.6, and 16.6 GHz, using a dual-antenna FM-CW scatterometer. The measurements were corrected for antenna separation and beamwidth, to obtain true values of scattering coefficient. Above 15 deg, snow-covered and rough gray ice have similar angular responses, while the decrease in scattering coefficient with incidence angle is more rapid for smoother surfaces. True scattering coefficients and surface roughness data estimated with an antenna-beamwidth correction based on a physical-optics model give values close to those measured.

Xue, D.↗
NASA NTRS1993

Experimental investigation of vortex-fin interaction

An experimental investigation has been conducted to examine the mechanisms of vortex-fin interaction on a twin-fin configuration. The investigation included a parametric study of the effect of tail location. The vortices were generated by a 76 deg sharp-edged delta wing with vertical tails mounted behind the wing. The model included both a dynamically-scaled flexible tail and a pressure instrumented rigid tail. Surface oil-flow patterns, off-body laser light sheet visualizations, aerodynamic load measurements, mean and unsteady flexible tail response, and unsteady tail surface pressure measurements were obtained. The results show that the tail location did not affect the upstream trajectory of the delta wing vortex. The tail location did affect the location of vortex breakdown, the global structure of the flow field, the aerodynamic loads, and the fin buffeting levels. The buffeting levels were reduced as the fins were moved laterally toward the vortex core trajectory. Two distinct peaks were observed in the pressure excitation spectra in the post-breakdown flow. Finally, the presence of the flexible tail opposite the rigid pressure tail altered the pressure measurements at one angle of attack.

Washburn, Anthony E.↗
NASA NTRS2005

Passive Millimeter-wave Signatures of Ice Particles in Hurricane Erin

Observations of Hurricane Erin (2001) taken during the Fourth Convection and Moisture Experiment (CAMEX-Q) are used to elucidate relationships between measurements and models. Measurements include active and passive microwave sensors, and dropsondes. Models used in the analysis include radiative transfer (RT) models, mesoscale models (MM5), and particle parameterizations. Various combinations of the models and observational constraints are used in the RT model to provide calculated brightness temperatures to compare to the passive observations. In order to match the wide frequency range 10 to 183±10 GHg model modifications were needed. The 55.5 GHz channel provided insight to the tropospheric temperature profile, while the 10 GHz channel provided knowledge of (near) ocean surface conditions. The channels less than ~90 GHz are mostly responsive to liquid in the cloud, while higher frequencies respond to ice particles in the cloud.

Ice clouds↗
NASA NTRS2007

Active-Adaptive Control of Inlet Separation Using Supersonic Microjets

Flow separation in internal and external flows generally results in a significant degradation in aircraft performance. For internal flows, such as inlets and transmission ducts in aircraft propulsion systems, separation is undesirable as it reduces the overall system performance. The aim of this research has been to understand the nature of separation and more importantly, to explore techniques to actively control it. In this research, we extended our investigation of active separation control (under a previous NASA grant) where we explored the use of microjets for the control of boundary layer separation. The geometry used for the initial study was a simple diverging Stratford ramp, equipped with arrays of microjets. These early results clearly show that the activation of microjets eliminated flow separation. Furthermore, the velocity-field measurements, using PIV, also demonstrate that the gain in momentum due to the elimination of separation is at least an order of magnitude larger (two orders of magnitude larger in most cases) than the momentum injected by the microjets and is accomplished with very little mass flow through the microjets. Based on our initial promising results this research was continued under the present grant, using a more flexible model. This model allows for the magnitude and extent of separation as well as the microjet parameters to be independently varied. The results, using this model were even more encouraging and demonstrated that microjet control completely eliminated significant regions of flow separation over a wide range of conditions with almost negligible mass flow. Detailed studies of the flowfield and its response to microjets were further examined using 3-component PIV and unsteady pressure measurements, among others. As the results presented this report will show, microjets were successfully used to control the separation of a much larger extent and magnitude than demonstrated in our earlier experiments. In fact, using the appropriate combination of control parameters (microjet, location, angle and pressure) separation was completely eliminated for the largest separated flowfield we could generate with the present model. Separation control also resulted in a significant reduction in the unsteady pressures in the flow where the unsteady pressure field was found to be directly responsive to the state of the flow above the surface. Hence, our study indicates that the unsteady pressure signature is a strong candidate for a flow state sensor , which can be used to estimate the location, magnitude and other properties of the separated flowfield. Once better understood and properly utilized, this behavior can be of significant practical importance for developing and implementing online control.

Alvi, Farrukh S.↗
NASA NTRS2015

The Influence of Sea Ice on Arctic Low Cloud Properties and Radiative Effects

The Arctic is one of the most climatically sensitive regions of the Earth. Climate models robustly project the Arctic to warm 2-3 times faster than the global mean surface temperature, termed polar warming amplification (PWA), but also display the widest range of surface temperature projections in this region. The response of the Arctic to increased CO2 modulates the response in tropical and extra-tropical regions through teleconnections in the atmospheric circulation. An increased frequency of extreme precipitation events in the northern mid-latitudes, for example, has been linked to the change in the background equator-to-pole temperature gradient implied by PWA. Understanding the Arctic climate system is therefore important for predicting global climate change. The ice albedo feedback is the primary mechanism driving PWA, however cloud and dynamical feedbacks significantly contribute. These feedback mechanisms, however, do not operate independently. How do clouds respond to variations in sea ice? This critical question is addressed by combining sea ice, cloud, and radiation observations from satellites, including CERES, CloudSAT, CALIPSO, MODIS, and microwave radiometers, to investigate sea ice-cloud interactions at the interannual timescale in the Arctic. Cloud characteristics are strongly tied to the atmospheric dynamic and thermodynamic state. Therefore, the sensitivity of Arctic cloud characteristics, vertical distribution and optical properties, to sea ice anomalies is computed within atmospheric dynamic and thermodynamic regimes. Results indicate that the cloud response to changes in sea ice concentration differs significantly between atmospheric state regimes. This suggests that (1) the atmospheric dynamic and thermodynamic characteristics and (2) the characteristics of the marginal ice zone are important for determining the seasonal forcing by cloud on sea ice variability.

Taylor, Patrick C.↗
DOE OSTI2025

Drought-induced changes in groundwater-surface water exchange at Lake Mead area

This study focuses on the Lake Mead region in the southwestern United States, a key water reservoir serving over 25 million people and agricultural lands across several states. The area has experienced recurring anthropogenic droughts since the early 2000s. We investigate the hydrological response of the coupled surface-groundwater system to the 2020–2022 drought, one of the most severe on record. To this end, we use Sentinel-1 Interferometric Synthetic Aperture Radar (InSAR) data to quantify vertical land motion caused by the elastic response of the crust to water-mass loss in the lake vicinity. Next, we apply an inverse elastic load modeling framework to quantify water loss. We further assess possible hydraulic connectivity between Lake Mead and adjacent groundwater reservoirs. We detect ground uplift of up to 8 mm/yr near the lake center, likely due to crustal rebound from reduced water-mass loading. We estimated the total water storage loss at 3.03 ± 0.25 km 3 /yr across a 3150 km 2 area surrounding Lake Mead. Groundwater accounts for approximately a third of that, being 0.94 ± 0.32 km 3 /yr. In addition, observed time lags of 6–98 days between lake and groundwater level responses, corresponding to a lateral diffusivity of 3.2–86 m 2 /s, suggest spatially variable connectivity between the lake and aquifers. These findings highlight that drought impacts propagate through the subsurface within interconnected systems, resulting in reduced buffering capacity of groundwater resources following droughts, and emphasizing the need for more integrated surface and groundwater management strategies to enhance resilience under climate and anthropogenic stressors.

58 GEOSCIENCES↗
NASA NTRSDate not supplied

Lapse-Rate Feeback: The Key to Reconciling TOA and Surface Attributions of Surface Warming

The impact of climate feedbacks on surface warming is conventionally evaluated using a decomposition of the top-of-atmosphere (TOA) energy budget. Alternatively, the climate feedback analysis can also be carried out using the surface energy budget. However, the two perspectives do not provide the same interpretation of process contributions to surface warming, particularly when executing a spatial analysis. The TOA energy budget is equal to the sum of the surface and atmospheric energy budgets. Using the CMIP5 RCP 8.5 model projections, we show that the major discrepancies between the surface and TOA climate feedback attributions of surface warming are due to non-negligible changes in the atmospheric energy budget that differ from their counterparts at the surface. Individual radiative and non-radiative processes cause vertically non-uniform energy flux perturbations, in response to an external forcing, that naturally lead to a vertically non-uniform temperature change. The TOA lapse-rate feedback is the manifestation of these multiple processes that produce a vertically non-uniform warming response such that it accounts for the asymmetry between the changes in the atmospheric and surface energy budgets. Using the climate feedback-response analysis method, we can decompose the lapse-rate feedback into contributions by individual processes. The negative lapse-rate feedback in the tropics is due to greater moist convection and condensational heating along with ocean heat storage. On the other hand, the positive lapse-rate feedback in polar regions is primarily due to the surface albedo and water vapor feedbacks. Combining the process contributions that are hidden within the lapse-rate feedback with their respective direct impacts on the TOA energy budget allows for a very consistent picture of process contributions to surface warming and its inter-model spread as that given by the surface energy budget approach. With the modified approach, both perspectives indicate water vapor feedback is the largest contributor in the tropics, while surface albedo feedback is the greatest contributor in polar regions. Dynamics and ocean heat storage are the main suppressors of surface warming, except over Antarctica. Both perspectives show there is large inter-model uncertainty in the contributions of water vapor, clouds, albedo, and dynamics plus ocean heat storage.

Sergio A Sejas↗
NASA NTRS2003

Glacier Ice Mass Fluctuations and Fault Instability in Tectonically Active Southern Alaska

Across southern Alaska the northwest directed subduction of the Pacific plate is accompanied by accretion of the Yakutat terrane to continental Alaska. This has led to high tectonic strain rates and dramatic topographic relief of more than 5000 meters within 15 km of the Gulf of Alaska coast. The glaciers of this area are extensive and include large glaciers undergoing wastage (glacier retreat and thinning) and surges. The large glacier ice mass changes perturb the tectonic rate of deformation at a variety of temporal and spatial scales. We estimated surface displacements and stresses associated with ice mass fluctuations and tectonic loading by examining GPS geodetic observations and numerical model predictions. Although the glacial fluctuations perturb the tectonic stress field, especially at shallow depths, the largest contribution to ongoing crustal deformation is horizontal tectonic strain due to plate convergence. Tectonic forces are thus the primary force responsible for major earthquakes. However, for geodetic sites located < 10-20 km from major ice mass fluctuations, the changes of the solid Earth due to ice loading and unloading are an important aspect of interpreting geodetic results. The ice changes associated with Bering Glacier s most recent surge cycle are large enough to cause discernible surface displacements. Additionally, ice mass fluctuations associated with the surge cycle can modify the short-term seismicity rates in a local region. For the thrust faulting environment of the study region a large decrease in ice load may cause an increase in seismic rate in a region close to failure whereas ice loading may inhibit thrust faulting.

SauberRosenberg, Jeanne M.↗
DOE OSTI2023

Implementation and experimental validation of nonlocal damage in a large-strain elasto-viscoplastic FFT-based framework for predicting ductile fracture in 3D polycrystalline materials

Ductile materials, such as metal alloys, can undergo substantial deformation before failure. Additionally, these materials are usually of polycrystalline composition and exhibit strongly anisotropic behavior at small length scales. Previously developed fast Fourier transform (FFT)-based models can model ductile fracture of isotropic materials or the elastic–plastic behavior of anisotropic polycrystalline materials; however, there remains a need to couple both capabilities. This work extends a large-strain FFT-based crystal plasticity model to simulate ductile fracture of polycrystalline materials. In this work, a triaxiality-based continuum damage mechanics (CDM) formulation is incorporated into a large-strain elasto-viscoplastic FFT (LS-EVPFFT) framework. The CDM formulation is augmented with an integral-based nonlocal regularization approach that correctly handles gas-phase material necessary to model unconstrained surfaces. To validate the damage-enabled LS-EVPFFT framework, mesoscale copper tensile coupons were machined using microwire electrical discharge machining and experimentally characterized using electron backscatter diffraction. In-situ optical digital image correlation was performed during uniaxial testing to provide a side-by-side comparison of the experimental and computational strain fields and stress–strain responses. The damage-enabled LS-EVPFFT framework can simulate the complete macroscopic stress–strain response of ductile polycrystals to failure. The model reproduces necking behavior that qualitatively agrees with experimental observations. By leveraging the relatively low computational cost of the damage-enabled LS-EVPFFT framework, the framework presented here allows the ductile fracture response of 3D polycrystalline materials to be tractably predicted.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Characterization and Modeling of Cell Wall Imperfections in Aluminum Honeycomb Cores using X-ray CT Imaging

Honeycomb cell imperfections may significantly affect the failure of sandwich composites in core crushing and shear modes. Identification and quantification of the different types of imperfections and evaluation of their effects on the mechanical response of honeycomb cores in flatwise compression is presented. X-Ray computed tomography (CT) scans of honeycomb cores in co-cured composite sandwich panels were performed. Image analysis methods are applied to characterize and quantify core cell geometry and cell wall waviness. An approach is developed for extracting cell wall mid surface planes and waviness for constructing finite element models using shell elements. Analysis results from models with the as-manufactured imperfections are compared to results from models with idealized geometries to evaluate the effect of the as-manufactured imperfections on the initiation of cell wall buckling and subsequent core crushing.

aluminum honeycomb↗
DOE OSTI2021

Strong Local Evaporative Cooling Over Land Due to Atmospheric Aerosols

Abstract Aerosols can enhance terrestrial productivity through increased absorption of solar radiation by the shaded portion of the plant canopy—the diffuse radiation fertilization effect. Although this process can, in principle, alter surface evaporation due to the coupling between plant water loss and carbon uptake, with the potential to change the surface temperature, aerosol‐climate interactions have been traditionally viewed in light of the radiative effects within the atmosphere. Here, we develop a modeling framework that combines global atmosphere and land model simulations with a conceptual diagnostic tool to investigate these interactions from a surface energy budget perspective. Aerosols increase the terrestrial evaporative fraction, or the portion of net incoming energy consumed by evaporation, by over 4% globally and as much as ∼40% regionally. The main mechanism for this is the increase in energy allocation from sensible to latent heat due to global dimming (reduction in global shortwave radiation) and slightly augmented by diffuse radiation fertilization. In regions with moderately dense vegetation (leaf area index >2), the local surface cooling response to aerosols is dominated by this evaporative pathway, not the reduction in incident radiation. Diffuse radiation fertilization alone has a stronger impact on gross primary productivity (+2.18 Pg C y −1 or +1.8%) than on land evaporation (+0.18 W m −2 or +0.48%) and surface temperature (−0.01 K). Our results suggest that it is important for land surface models to distinguish between quantity (change in total magnitude) and quality (change in diffuse fraction) of radiative forcing for properly simulating surface climate.

Chakraborty, TC↗
NASA NTRS2017

Development of an Unstructured, Three-Dimensional Material Response Design Tool

A preliminary verification and validation of a new material response model is presented. This model, Icarus, is intended to serve as a design tool for the thermal protection systems of re-entry vehicles. Currently, the capability of the model is limited to simulating the pyrolysis of a material as a result of the radiative and convective surface heating imposed on the material from the surrounding high enthalpy gas. Since the major focus behind the development of Icarus has been model extensibility, the hope is that additional physics can be quickly added. The extensibility is critical since thermal protection systems are becoming increasing complex, e.g. woven carbon polymers. Additionally, as a three-dimensional, unstructured, finite-volume model, Icarus is capable of modeling complex geometries as well as multi-dimensional physics, which have been shown to be important in some scenarios and are not captured by one-dimensional models. In this paper, the mathematical and numerical formulation is presented followed by a discussion of the software architecture and some preliminary verification and validation studies.

Material Response Model↗
DOE OSTI2021

Structural dynamics modeling of spent nuclear fuel during hypothetical package drop events

The response of spent nuclear fuel (SNF) to hypothetical package drop events is of particular interest in the scope of spent fuel storage and transportation because of the mechanical shock encountered in such scenarios. Previous testing and modeling by the U.S. Department of Energy has demonstrated that the shock and vibration environment of normal shipping and handling conditions (excluding package drop events) is relatively benign and does not challenge the integrity of spent nuclear fuel. Cask drop events are worth considering because SNF packages are required to withstand free drops onto unyielding surfaces as part of their licensing basis. The acceleration experienced during drop events can be orders of magnitude higher, and thus more advanced models are needed to encompass potential nonlinear behavior of the fuel, such as spacer grid buckling and rod-to-rod impact. This work describes a number of finite element models developed to calculate the response of spent nuclear fuel to various hypothetical drop events that have been validated by package and fuel assembly drop tests conducted in the last decade. Sensitivity of the model response to factors such as package drop orientation, secondary impacts, and irradiated material properties as well as their potential impacts to fuel cladding integrity, was also investigated. Cask drops are not expected as a regular occurrence during SNF transportation, but this work helps raise the understanding of SNF mechanical loads to the point of consistency with the package design requirements.

Kadooka, Kevin↗