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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

How reliable is distribution of relaxation times (DRT) analysis? A dual regression-classification perspective on DRT estimation, interpretation, and accuracy

The distribution of relaxation times (DRT) has gained increasing attention and adoption in recent years as a versatile method for analyzing electrochemical impedance spectroscopy (EIS) data obtained from complex devices like fuel cells, electrolyzers, and batteries. The DRT deconvolutes the impedance without a priori specification of a generative model, which is especially useful for interpretation and model selection when the governing principles of the system under study are not fully understood. However, DRT estimation is an ill-posed inversion problem that must be addressed with a subjective choice of regularization and tuning, which leaves substantial risk of misleading interpretations of EIS data. In this work, we suggest a new classification view of the DRT inversion to clarify DRT estimation and interpretation. We introduce a dual regression-classification framework that unifies the classification and regression views of the DRT inversion with wide-reaching implications for DRT analysis. The dual framework is employed to demonstrate a new kind of DRT inversion algorithm and develop novel evaluation metrics that capture previously ignored aspects of DRT accuracy. These approaches are applied to both synthetic data and experimental spectra collected from a protonic ceramic fuel cell and a lithium-ion battery to illustrate their broad utility. The dual inversion algorithm shows promising performance for accurate DRT estimation and autonomous model identification, while the dual evaluation approach produces metrics that meaningfully assess the strengths and risks of DRT algorithms. Here this work provides valuable insight for both practical application of the DRT to experimental data and further development of EIS analysis methods.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Diagnosing the pedestal magnetic field and magnetohydrodynamics radial structure with pedestal–scrape of layer electron cyclotron emission radiation inversion in H-mode plasma (invited)

Forward modeling is used to interpret inversion patterns of the pedestal–Scrape of Layer (SOL) Electron Cyclotron Emission (ECE) in DIII-D H-mode experiments. The modeling not only significantly improves the ECE data interpretation quality but also leads to the potential measurements of (1) the magnetic field strength |B| at the separatrix, (2) the pedestal |B| evolution during an inter-Edge Localized Mode (ELM) period, and (3) the pedestal Magnetohydrodynamics (MHD) radial structure. The ECE shine-through effect leads to three types of pedestal–SOL radiation inversions that are discussed in this paper. The first type of inversion is the non-monotonic T e,rad profile with respect to the major radius. Using the ECE frequency at the minimum T e,rad , the inversion can be applied to measure the magnetic field |B| at the separatrix and calibrate the mapping of the ECE channels with respect to the separatrix. The second type of inversion refers to the opposite phase between the radiation fluctuations δT e,rad at the pedestal and SOL. This δT e,rad phase inversion is sensitive to density and temperature fluctuations at the pedestal foot and, thus, can be used to qualitatively measure the MHD radial structure. The third type of inversion appears when the pedestal and SOL T e,rad evolve in an opposite trend, which can be used to infer the pedestal |B| field change during an inter-ELM period. Finally, the bandwidth effect on measuring δT e,rad due to pedestal MHD is also investigated in the radiation modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Towards verifiable cancer digital twins: tissue level modeling protocol for precision medicine

Cancer exhibits substantial heterogeneity, manifesting as distinct morphological and molecular variations across tumors, which frequently undermines the efficacy of conventional oncological treatments. Developments in multiomics and sequencing technologies have paved the way for unraveling this heterogeneity. Nevertheless, the complexity of the data gathered from these methods cannot be fully interpreted through multimodal data analysis alone. Mathematical modeling plays a crucial role in delineating the underlying mechanisms to explain sources of heterogeneity using patient-specific data. Intra-tumoral diversity necessitates the development of precision oncology therapies utilizing multiphysics, multiscale mathematical models for cancer. This review discusses recent advancements in computational methodologies for precision oncology, highlighting the potential of cancer digital twins to enhance patient-specific decision-making in clinical settings. We review computational efforts in building patient-informed cellular and tissue-level models for cancer and propose a computational framework that utilizes agent-based modeling as an effective conduit to integrate cancer systems models that encode signaling at the cellular scale with digital twin models that predict tissue-level response in a tumor microenvironment customized to patient information. Furthermore, we discuss machine learning approaches to building surrogates for these complex mathematical models. These surrogates can potentially be used to conduct sensitivity analysis, verification, validation, and uncertainty quantification, which is especially important for tumor studies due to their dynamic nature.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1983

A theoretical model study of observed correlations between whistler mode waves and energetic electron precipitation events in the magnetosphere

A recently extended test particle computer model of the gyroresonance wave-particle interaction in the magnetosphere is applied to previously reported cases of observed correlations between whistler mode waves and ionospheric responses to particle precipitation. Three different ionospheric effects, namely, X-ray bursts, photoemissions, and D region perturbations, all correlated with VLF waves and believed to be caused by precipitated particles, are considered. The precipitation flux level, the pulse shape, and the associated time delays are computed for the parameters relevant to each case and are compared with values deduced from the data. The results demonstrate that the existing theoretical model can be useful for interpreting experimental results of this kind. Furthermore, the model results and observations, used together, provide a basis for additional diagnostics of the various parameters of the cold and energetic particle distributions in the magnetosphere. For example, when applied to the observed photoemission case (Helliwell et al., 1980) the model results imply that the trapped energetic particle distribution function at the time could be modeled as proportional to E exp -n/2 with n about 3.5 to 6, where E is the particle energy.

Chang, H. C.↗
NASA NTRSDate not supplied

A materials-informatics based study of solid electrolytes and protective coatings for Li batteries

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes and protective coatings simultaneously possessing high ionic conductivity and wide electrochemical stability has proven to be a challenge. Here, we present a data-driven approach to explore the Li compound space for promising solid electrolytes and coatings. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds by computing Li+ migration barriers using bond-valence-based pair potentials, and stability windows using density functional theory energies. Using this database, we implement machine learning models that can accurately predict migration barriers and electrochemical stability windows for any new Li compound. Through feature engineering, we ensure that our models are both accurate and interpretable. We perform feature importance analysis on our models to highlight materials properties that can be tuned for future design of coatings/electrolytes. Our database and informatics approach provide a valuable tool for the rapid discovery of new solid-state battery chemistries.

Solid state batteries↗
NASA NTRSDate not supplied

Discriminative Methodology using the Unscented Transform in Special Euclidean Group SE(3) for Autonomous GN&C

Kalman filtering techniques usually compare a known dynamic model with some process noise to an updated, noisy measurement. Both sources of noise are generally assumed to be Gaussian and are filtered to obtain a more accurate estimate of the state of the system of interest. However, these methods assume that a relatively accurate dynamical model already exists. By including discriminative methodology to interpret differences in the predictive model and the measured states over time, an incorrect model can be corrected overtime, allowing a spacecraft to learn about its environment and adapt to changing conditions. In this paper, a discriminative unscented Kalman filter (DUKF) is introduced on the special Euclidean group SE(3) formulation framework. A spacecraft is initialized near a small body with no knowledge of its parameters, and using several consecutive conditional models the environment is studied and the filter is updated. The case study of a spacecraft in a slightly elliptical, inclined, relatively tight orbit around the irregular moon Phobos is simulated and discussed. The accuracy of this approach is quantifying the differences between the true state, the UKF with a poor model, and the DUKF.

GN&C↗
DOE OSTI2022

Data-driven analysis of neutron diffraction line profiles: application to plastically deformed Ta

Abstract Non-destructive evaluation of plastically deformed metals, particularly diffraction line profile analysis (DLPA), is valuable both to estimate dislocation densities and arrangements and to validate microstructure-aware constitutive models. To date, the interpretation of whole line diffraction profiles relies on the use of semi-analytical models such as the extended convolutional multiple whole profile (eCMWP) method. This study introduces and validates two data-driven DLPA models to extract dislocation densities from experimentally gathered whole line diffraction profiles. Using two distinct virtual diffraction models accounting for both strain and instrument induced broadening, a database of virtual diffraction whole line profiles of Ta single crystals is generated using discrete dislocation dynamics. The databases are mined to create Gaussian process regression-based surrogate models, allowing dislocation densities to be extracted from experimental profiles. The method is validated against 11 experimentally gathered whole line diffraction profiles from plastically deformed Ta polycrystals. The newly proposed model predicts dislocation densities consistent with estimates from eCMWP. Advantageously, this data driven LPA model can distinguish broadening originating from the instrument and from the dislocation content even at low dislocation densities. Finally, the data-driven model is used to explore the effect of heterogeneous dislocation densities in microstructures containing grains, which may lead to more accurate data-driven predictions of dislocation density in plastically deformed polycrystals.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Visible-infrared remote-sensing model and applications for ocean waters

Remote sensing has become important in the ocean sciences, especially for research involving large spatial scales. To estimate the in-water constituents through remote sensing, whether carried out by satellite or airplane, the signal emitted from beneath the sea surface, the so called water-leaving radiance (L(w)), is of prime importance. The magnitude of L(w) depends on two terms: one is the intensity of the solar input, and the other is the reflectance of the in-water constituents. The ratio of the water-leaving radiance to the downwelling irradiance (E(d)) above the sear surface (remote-sensing reflectance, R(sub rs)) is independent of the intensity of the irradiance input, and is largely a function of the optical properties of the in-water constituents. In this work, a model is developed to interpret r(sub rs) for ocean water in the visible-infrared range. In addition to terms for the radiance scattered from molecules and particles, the model includes terms that describe contributions from bottom reflectance, fluorescence of gelbstoff or colored dissolved organic matter (CDOM), and water Raman scattering. By using this model, the measured R(sub rs) of waters from the West Florida Shelf to the Mississippi River plume, which covered a (concentration of chlorophyll a) range of 0.07 - 50 mg/cu m, were well interpreted. The average percentage difference (a.p.d.) between the measured and modeled R(sub rs) is 3.4%, and, for the shallow waters, the model-required water depth is within 10% of the chart depth. Simple mathematical simulations for the phytoplankton pigment absorption coefficient (a(sub theta)) are suggested for using the R(sub rs) model. The inverse problem of R(sub rs), which is to analytically derive the in-water constituents from R(sub rs) data alone, can be solved using the a(sub theta) functions without prior knowledge of the in-water optical properties. More importantly, this method avoids problems associated with a need for knowledge of the shape and value of the chlorophyll-specific absorption coefficient. The simulation was tested for a wide range of water types, including waters from Monterey Bay, the West Florida Shelf, and the Mississippi River plume. Using the simulation, the R(sub rs)-derived in-water absorption coefficients were consistent with the values from in-water measurements (r(exp 2) greater than 0.94, slope approximately 1.0). In the remote-sensing applications, a new approach is suggested for the estimation of primary production based on remote sensing. Using this approach, the calculated primary production (PP) values based upon remotely sensed data were very close to the measured values for the euphotic zone (r(exp 2) = 0.95, slope 1.26, and 32% average difference), while traditional, pigment-based PP model provided values only one-third the size of the measured data. This indicates a potential to significantly improve the accuracy of the estimation of primary production based upon remote sensing.

Lee, Zhongping↗
DOE OSTI2020

Comparison of equilibrium climate sensitivity estimates from slab ocean, 150-year, and longer simulations

We compare equilibrium climate sensitivity (ECS) estimates from pairs of long (= 800-year) control and abruptly quadrupled CO2 simulations with shorter (150, 300 year) coupled atmosphere-ocean simulations and Slab Ocean Models (SOM). Consistent with previous work, ECS estimates from shorter coupled simulations based on annual averages for years 1-150 underestimate those from SOM (-8% ± 13%) and long (-14% ± 8%) simulations. Analysis of only years 21-150 improved agreement with SOM (-2% ± 14%) and long (-8% ± 10%) estimates. Use of pentadal averages for years 51-150 results in improved agreement with long simulations (-4% ± 11%). While ECS estimates from current generation US models based on SOM and coupled annual averages of years 1-150 range from 2.6°C to 5.3°C, estimates based longer simulations of the same models range from 3.2°C to 7.0°C. Such variations between methods argues for caution in comparison and interpretation of ECS estimates across models.

Dunne, John P.↗
DOE OSTI2023

The Dynamics of Megafire Smoke Plumes in Climate Models: Why a Converged Solution Matters for Physical Interpretations

As the climate system warms, megafires have become more frequent with devastating effects. A byproduct of these events is the creation of smoke plumes that can rise into the stratosphere and spread across the globe where they reside for many months. To gain a deeper understanding of the plume dynamics, global climate simulations of a megafire were performed at a wide range of grid spacings from 2.0° down to 7 km, including a 7 km nonhydrostatic experiment. The analysis focuses on how the resolved dynamics affects the specification of the plume characteristics such as injection height and black carbon (BC) mass. Prior studies initialize the smoke plume at one or a few grid points and this is shown here to produce severely dissipative dynamics. In order to validate such simulations with observations, enhancements of the plume characteristics to offset the dissipation is necessary. Using a numerically converged simulation, sensitivity tests show that to approximate the observed stratospheric lifetime, a reduction in BC fraction by 50% is necessary for external mixtures. The vorticity dynamics of the plume is also analyzed with a Lagrangian budget to understand the mechanisms responsible for the evolution of a collocated anticyclonic vortex. The results can be distilled down into a simple conceptual model. As the plume rises, the air diverges at the top of the updraft where the largest concentrations of smoke are found. This divergence induces a dilution of the background cyclonic absolute vorticity producing an anticyclonic vortex. Vortex decay occurs from opposite arguments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Improving the accuracy of freight mode choice models: A case study using the 2017 CFS PUF data set and ensemble learning techniques

Here, the US Census Bureau has collected two rounds of experimental data from the Commodity Flow Survey, providing shipment-level characteristics of nationwide commodity movements, published in 2012 (i.e., Public Use Microdata) and in 2017 (i.e., Public Use File). With this information, data-driven methods have become increasingly valuable for understanding detailed patterns in freight logistics. In this study, we used the 2017 Commodity Flow Survey Public Use File data set to explore building a high-performance freight mode choice model, considering three main improvements: (1) constructing local models for each separate commodity/industry category; (2) extracting useful geographical features, particularly the derived distance of each freight mode between origin/destination zones; and (3) applying additional ensemble learning methods such as stacking or voting to combine results from local and unified models for improved performance. The proposed method achieved over 92% accuracy without incorporating external information, an over 19% increase compared to directly fitting Random Forests models over 10,000 samples. Furthermore, SHAP (Shapely Additive Explanations) values were computed to explain the outputs and major patterns obtained from the proposed model. The model framework could enhance the performance and interpretability of existing freight mode choice models.

42 ENGINEERING↗
NASA NTRS1983

A program of research in environmental modeling

A theoretical framework for the interpretation of satellite measurements of stratospheric temperature and trace gases is provided. This problem is quite complicated since the distributions of trace gases are dependent on dynamics and photochemistry. Therefore, the problem was attacked with models employing varying degrees of photochemical and dynamical complexity. The relationship between dynamics and trace gas transport and wave transience, dissipation and critical levels and the net (permanent) transport of trace gases, the role of photochemistry in trace gas transport, photochemistry and dynamics and altering the mean-zonal distribution of stratospheric ozone, and approximations to simplify the interpretation of observations and General Circulation Models are discussed.

Source record↗
NASA NTRS1980

Interpretation of laser/multi-sensor data for short range terrain modeling and hazard detection

A terrain modeling algorithm that would reconstruct the sensed ground images formed by the triangulation scheme, and classify as unsafe any terrain feature that would pose a hazard to a roving vehicle is described. This modeler greatly reduces quantization errors inherent in a laser/sensing system through the use of a thinning algorithm. Dual filters are employed to separate terrain steps from the general landscape, simplifying the analysis of terrain features. A crosspath analysis is utilized to detect and avoid obstacles that would adversely affect the roll of the vehicle. Computer simulations of the rover on various terrains examine the performance of the modeler.

Messing, B. S.↗
NASA NTRS1990

Remote sensing of Earth terrain

Remote sensing of earth terrain is examined. The layered random medium model is used to investigate the fully polarimetric scattering of electromagnetic waves from vegetation. The model is used to interpret the measured data for vegetation fields such as rice, wheat, or soybean over water or soil. Accurate calibration of polarimetric radar systems is essential for the polarimetric remote sensing of earth terrain. A polarimetric calibration algorithm using three arbitrary in-scene reflectors is developed. In the interpretation of active and passive microwave remote sensing data from the earth terrain, the random medium model was shown to be quite successful. A multivariate K-distribution is proposed to model the statistics of fully polarimetric radar returns from earth terrain. In the terrain cover classification using the synthetic aperture radar (SAR) images, the applications of the K-distribution model will provide better performance than the conventional Gaussian classifiers. The layered random medium model is used to study the polarimetric response of sea ice. Supervised and unsupervised classification procedures are also developed and applied to synthetic aperture radar polarimetric images in order to identify their various earth terrain components for more than two classes. These classification procedures were applied to San Francisco Bay and Traverse City SAR images.

Kong, Jin AU↗
NASA NTRS1994

The interpretation of remotely sensed cloud properties from a model paramterization perspective

A study has been made of the relationship between mean cloud radiative properties and cloud fraction in stratocumulus cloud systems. The analysis is of several Land Resources Satellite System (LANDSAT) images and three hourly International Satellite Cloud Climatology Project (ISCCP) C-1 data during daylight hours for two grid boxes covering an area typical of a general circulation model (GCM) grid increment. Cloud properties were inferred from the LANDSAT images using two thresholds and several pixel resolutions ranging from roughly 0.0625 km to 8 km. At the finest resolution, the analysis shows that mean cloud optical depth (or liquid water path) increases somewhat with increasing cloud fraction up to 20% cloud coverage. More striking, however, is the lack of correlation between the two quantities for cloud fractions between roughly 0.2 and 0.8. When the scene is essentially overcast, the mean cloud optical tends to be higher. Coarse resolution LANDSAT analysis and the ISCCP 8-km data show lack of correlation between mean cloud optical depth and cloud fraction for coverage less than about 90%. This study shows that there is perhaps a local mean liquid water path (LWP) associated with partly cloudy areas of stratocumulus clouds. A method has been suggested to use this property to construct the cloud fraction paramterization in a GCM when the model computes a grid-box-mean LWP.

HARSHVARDHAN↗
NASA NTRS2019

MARCI-observed clouds in the Hellas Basin during northern hemisphere summer on Mars: Interpretation with the NASA/Ames Legacy Mars Global Climate Model

We present a study that is motivated by a population of water ice clouds in the Hellas Basin that has been observed by the MARs Color Imager (MARCI) instrument on the Mars Reconnaissance Orbiter (MRO) to persist throughout the majority of Northern Hemisphere (NH) summer. Although water ice clouds are present in Hellas at very low opacities throughout NH spring, they noticeably thicken after L(sub s) 60° and continue to do so until their peak optical thickness is attained at L(sub s) ~120°. They dissipate rapidly from L(sub s) 120° to 150°, and by L(sub s) 150°, the only clouds in Hellas are on the southern side of the basin and are indistinguishable from the polar hood clouds. We use the NASA/Ames Legacy Mars Global Climate Model (GCM), which is supported by the Agency’s Mars Climate Modeling Center, to investigate the dynamical and microphysical mechanisms that control the formation and evolution of Hellas water ice clouds. We show that water is transported from the North Polar Residual Cap (NPRC) southward across the equator and into the Hellas region. Water vapor is confined down low by cloud formation in the aphelion cloud belt, thus limiting the effectiveness of transport by the zonal mean overturning circulation (i.e., the Hadley cell). Thus, contrary to the commonly held conceptual understanding that the Hadley cell controls cross-equatorial water transport during this season, we show that the southward transport of water is done primarily in the vapor phase by stationary eddies at nearly all latitudes, including across the equator. Clouds form near the surface in the basin as moist air mixes with cold polar air on the western side of Hellas and are subsequently transported clockwise around the north side of the basin by the low-level cyclonic circulation. The simulated Hellas clouds have small particle sizes (~3–5 μm), are very low, and exist as long as the NPRC is exposed.

M. A. Kahre↗
DOE OSTI2025

Airport Delay Prediction with Temporal Fusion Transformers

Since flight delay hurts passengers, airlines, and airports, its prediction becomes crucial for the decision-making of all stakeholders in the aviation industry and thus has been attempted by various previous research. However, previous delay predictions are often categorical and at a highly aggregated level. To improve that, this study proposes to apply the novel Temporal Fusion Transformer model and predict numerical airport arrival delays at quarter hour level for U.S. top 30 airports. Inputs to our model include airport demand and capacity forecasts, historic airport operation efficiency information, airport wind and visibility conditions, as well as en-route weather and traffic conditions. The results show that our model achieves satisfactory performance measured by small prediction errors on the test set. In addition, the interpretability analysis of the model outputs identifies the important input factors for delay prediction.

Liu, Ke [University of California Berkeley]↗