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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 109 records · Page 6

Cyber-attack detection and neutralization

The example embodiments are directed to a system and method for neutralizing abnormal signals in a cyber-physical system. In one example, the method includes receiving input signals comprising time series data associated with an asset and transforming the input signals into feature values in a feature space, detecting one or more abnormal feature values in the feature space based on a predetermined normalcy boundary associated with the asset, and determining an estimated true value for each abnormal feature value, and performing an inverse transform of each estimated true value to generate neutralized signals comprising time series data and outputting the neutralized signals.

97 MATHEMATICS AND COMPUTING↗

Extracting Ocean-Generated Tidal Magnetic Signals from Swarm Data Through Satellite Gradiometry

Ocean-generated magnetic field models of the Principal Lunar, M2, and the Larger Lunar elliptic, N2, semidiurnal tidal constituents were estimated through a "Comprehensive Inversion" of the first 20.5 months of magnetic measurements from European Space Agency's (ESA) Swarm satellite constellation mission. While the constellation provides important north-south along-track gradiometry information, it is the unique low-spacecraft pair that allows for east-west cross-track gradiometry. This latter type is crucial in delivering an M2 estimate of similar quality with that derived from over 10 years of CHAMP satellite data but over a shorter interval, at higher altitude, and during more magnetically disturbed conditions. Recovered N2 contains nonoceanic signal but is highly correlated with theoretical models in regions of maximum oceanic amplitude. Thus, satellite magnetic gradiometry may eventually enable the monitoring of ocean electrodynamic properties at temporal resolutions of 1 to 2 years, which may have important implications for the inference of ocean temperature and salinity.

Magnetic↗

Application of Bound-to-Bound Data Collaboration approach for development and uncertainty quantification of a reduced char combustion model

The development of efficient industrial oxy-coal boilers can be significantly aided by Computational Fluid Dynamics (CFD) tools, as far as fidelity in modeling coal combustion is also complemented by feasible computational costs. Reduced and predictive models are the most suitable for this application scale. Reduced models feature predictivity when they are validated against a broad range of experiments and targeted by Uncertainty Quantification (UQ) procedures. This work proposes a numerical procedure that uses Bound-to-Bound Data Collaboration (B2B-DC) to derive a reduced char combustion model describing transport phenomena and reactions between char carbon and O 2 , CO 2 and H 2 O, in both conventional and oxy-conditions. The approach determines the consistency between a numerical model and an experimental dataset. The latter is made up of the experiments carried out in an optically accessible laminar entrained flow reactor, operated by Sandia National Laboratories. The procedure follows five steps towards predictive modeling capability, namely: quantification of the uncertainty in the experiments, via instrument verification and modeling; development of a physics model and continuous improvement of its fidelity, via model-form uncertainty; identification of the uncertain and most sensitive parameters and of their prior bounds; sampling of the initial uncertain parameter space and training of a surrogate model; validation of the physics model via inference from the data. The last step, also known as inverse problem, is performed by applying the Bound-to-Bound Data Collaboration approach. A char combustion model is found consistent with the experimental data and its validity stands for conventional and oxy-combustion conditions. It accounts for heterogeneous reactions at the particle surface, mass transport of species in the particle boundary layer, pore diffusion and surface area changes. The consistent reduced model overcomes the differences in mass transport and kinetics observed in the experimental campaign. In conclusion, a reduction of the initial degree of uncertainty in both model and experiments is achieved.

42 ENGINEERING↗

National Security Forensics

The objective of this effort is to research and develop inversion methods for mapping observations to the input parameters of the underlying physical system that could have generated these observations. This report describes our FY11 progress in developing a surrogate model of the forward model, using this surrogate forward model to develop inversion capabilities, and partitioning the input-output space to facilitate assessment and implementation of our inversion capabilities, as well as adaptively propose new computer code runs to enhance our training data. This work was funded by NA22/SAM in the NN2001- 06 area, under project number LL10-Forensics-PD06.

97 MATHEMATICS AND COMPUTING↗

EGS Collab Testbed 1: Baseline Cross-well Seismic

As part of the geophysical characterization suite for the first EGS Collab tesbed, here are the baseline cross-well seismic data and resultant models. The campaign seismic data have been organized, concatenated with geometry and compressional (P-) & and shear (S-) wave picks, and submitted as SGY files. P-wave data were collected and analyzed in both 2D and 3D, while S-wave data were collected and analyzed in 2D only. Inversion models are provided as point volumes; the volumes have been culled to include only the points within source/receiver array coverage. The full models space volumes are also included, if relevant. An AGU 2018 poster by Linneman et al. is included that provides visualizations/descriptions of the cross-well seismic characterization method, elastic moduli calculations, and images of model inversion results.

15 GEOTHERMAL ENERGY↗

Efficient Stochastic Inversion Using Adjoint Models and Kernel-PCA

Performing stochastic inversion on a computationally expensive forward simulation model with a high-dimensional uncertain parameter space (e.g. a spatial random field) is computationally prohibitive even with gradient information provided. Moreover, the ‘nonlinear’ mapping from parameters to observables generally gives rise to non-Gaussian posteriors even with Gaussian priors, thus hampering the use of efficient inversion algorithms designed for models with Gaussian assumptions. In this work, we propose a novel Bayesian stochastic inversion methodology, characterized by a tight coupling between a gradient-based Langevin Markov Chain Monte Carlo (LMCMC) method and a kernel principal component analysis (KPCA). This approach addresses the ‘curse-of-dimensionality’ via KPCA to identify a low-dimensional feature space within the high-dimensional and nonlinearly correlated spatial random field. Moreover, non-Gaussian full posterior probability distribution functions are estimated via an efficient LMCMC method on both the projected low-dimensional feature space and the recovered high-dimensional parameter space. We demonstrate this computational framework by integrating and adapting recent developments such as data-driven statistics-on-manifolds constructions and reduction-through-projection techniques to solve inverse problems in linear elasticity.

97 MATHEMATICS AND COMPUTING↗

Power-Law Scaling in the Internal Variability of Cumulus Cloud Size Distributions due to Subsampling and Spatial Organization

In this study, the spatial structure of cumulus cloud populations is investigated using three-dimensional snapshots from large-domain LES experiments. The aim is to understand and quantify the internal variability in cloud size distributions due to subsampling effects and spatial organization. A set of idealized shallow cumulus cases is selected with varying degrees of spatial organization, including a slowly organizing marine precipitating case and five more quickly organizing diurnal cases over land. A subdomain analysis is applied, yielding cloud number distributions at sample sizes ranging from severely undersampled to nearly complete. A strong power-law scaling is found in the relation between cloud number variability and subdomain size, reflecting an inverse linear relation. Scaling subdomain size by cloud size yields a data collapse across time points and cases, highlighting the role played by cloud spacing in controlling the stochastic variability. Spatial organization acts on top of this baseline model by increasing the maximum cloud size and by enhancing the variability in the number of smallest clouds. This reflects that the smaller clouds start to live on top of larger-scale thermodynamic structures, such as cold pools, which favor or inhibit their formation. Compositing all continental cumulus cases suggests the existence of a prototype diurnal time dependence in the spatial organization. A simple stochastic expression for cloud number variability is proposed that is formulated in terms of two dimensionless groups, which allows objective estimation of the degree of spatial organization in simulated and observed cumulus cloud populations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Main Geomagnetic Field Models from Oersted and Magsat Data Via a Rigorous General Inverse Theory with Error Bounds

The purpose of the grant was to study how prior information about the geomagnetic field can be used to interpret surface and satellite magnetic measurements, to generate quantitative descriptions of prior information that might be so used, and to use this prior information to obtain from satellite data a model of the core field with statistically justifiable error estimates. The need for prior information in geophysical inversion has long been recognized. Data sets are finite, and faithful descriptions of aspects of the earth almost always require infinite-dimensional model spaces. By themselves, the data can confine the correct earth model only to an infinite-dimensional subset of the model space. Earth properties other than direct functions of the observed data cannot be estimated from those data without prior information about the earth. Prior information is based on what the observer already knows before the data become available. Such information can be "hard" or "soft". Hard information is a belief that the real earth must lie in some known region of model space. For example, the total ohmic dissipation in the core is probably less that the total observed geothermal heat flow out of the earth's surface. (In principle, ohmic heat in the core can be recaptured to help drive the dynamo, but this effect is probably small.) "Soft" information is a probability distribution on the model space, a distribution that the observer accepts as a quantitative description of her/his beliefs about the earth. The probability distribution can be a subjective prior in the sense of Bayes or the objective result of a statistical study of previous data or relevant theories.

Backus, George E.↗

Crustal geomagnetic field - Two-dimensional intermediate-wavelength spatial power spectra

Two-dimensional Fourier spatial power spectra of equivalent magnetization values are presented for a region that includes a large portion of the western United States. The magnetization values were determined by inversion of POGO satellite data, assuming a magnetic crust 40 km thick, and were located on an 11 x 10 array with 300 km grid spacing. The spectra appear to be in good agreement with values of the crustal geomagnetic field spatial power spectra given by McLeod and Coleman (1980) and with the crustal field model given by Serson and Hannaford (1957). The spectra show evidence of noise at low frequencies in the direction along the satellite orbital track (N-S). indicating that for this particular data set additional filtering would probably be desirable. These findings illustrate the value of two-dimensional spatial power spectra both for describing the geomagnetic field statistically and as a guide for diagnosing possible noise sources.

Mcleod, M. G.↗

Nonuniform sampling techniques for antenna applications

A two-dimensional sampling technique, which can employ irregularly spaced samples (amplitude and phase) in order to generate the complete far-field patterns is presented. The technique implements a matrix inversion algorithm, which depends only on the nonuniform sampled data point locations and with no dependence on the actual field values at these points. A powerful simulation algorithm is presented to allow a real-life simulation of many reflector/feed configurations and to determine the usefulness of the nonuniform sampling technique for the copolar and cross-polar patterns. Additionally, an overlapped window concept and a generalized error simulation model are discussed to identify the stability of the technique for recovering the field data among the nonuniform sampled data. Numerical results are tailored for the pattern reconstruction of a 20-m offset reflector antenna operating at L-band. This reflector is planned to be used in a proposed measurement concept of large antenna aboard the Space Shuttle, whereby it would be almost impractical to accurately control the movement of the Shuttle with respect to the RF source in prescribed directions in order to generate uniform sampled points. Also, application of the nonuniform sampling technique to patterns obtained using near-field measured data is demonstrated. Finally, results of an actual far-field measurement are presented for the construction of patterns of a reflector antenna from a set of nonuniformly distributed measured amplitude and phase data.

Rahmat-Samii, Yahya↗

Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects

Line mixing effects have been calculated in various parallel and perpendicular bands of self-broadened PH3 lines and compared with recent experimental data. The theoretical approach is an extension to symmetric tops with high inversion barrier of the formalism previously developed for NH3 [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. The model takes into account the non-diagonality of the scattering operator within the line space as well as, in a correct way, the double degeneracy of the j, k levels when k ≠ 0. Transitions between such levels should be considered as doublets whose components may be coupled by the line mixing process. It has been shown that, at low pressure, the inversion of the experimental data will strongly depend on the splitting between the two components of a doublet. When it is significant, one can measure independently both the width of one component and the intra-doublet coupling matrix element. Otherwise, one can only measure the sum of these two elements. Comparisons with measurements show that the present formalism leads to accurate predictions of the experimental line shapes.

Remote sensing↗

Panoramic Mapping of Phonon Transport from Ultrafast Electron Diffraction and Scientific Machine Learning

Abstract One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate frequency‐resolved phonon transport. Although recent advances in computation lead to frequency‐resolved information, it is hindered by unknown defects in bulk regions and at interfaces. Here, a framework that can uncover microscopic phonon transport information in heterostructures is presented, integrating state‐of‐the‐art ultrafast electron diffraction (UED) with advanced scientific machine learning (SciML). Taking advantage of the dual temporal and reciprocal‐space resolution in UED, and the ability of SciML to solve inverse problems involving coupled Boltzmann transport equations, the frequency‐dependent interfacial transmittance and frequency‐dependent relaxation times of the heterostructure from the diffraction patterns are reliably recovered. The framework is applied to experimental Au/Si UED data, and a transport pattern beyond the diffuse mismatch model is revealed, which further enables a direct reconstruction of real‐space, real‐time, frequency‐resolved phonon dynamics across the interface. The work provides a new pathway to probe interfacial phonon transport mechanisms with unprecedented details.

36 MATERIALS SCIENCE↗

Sensitivity of Inherent Optical Properties from Ocean Reflectance Inversion Models to Satellite Instrument Wavelength Suites

The Earth science community seeks to develop climate data records (CDRs) from satellite measurements of ocean color, a continuous data record that now exceeds 20 years. Space agencies will launch additional instruments in the coming decade that will continue this data record, including the NASA PACE spectrometer. Inherent optical properties (IOPs) quantitatively describe the absorbing and scattering constituents of seawater and can be estimated from satellite-observed spectroradiometric data using semi-analytical algorithms (SAAs). SAAs exploit the contrasting optical signatures of constituent matter at spectral bands observed by satellite sensors. SAA performance, therefore, depends on the spectral resolution of the satellite spectroradiometer. A CDR spanning SeaWiFS, MODIS, OLCI, and PACE, for example, would include IOPs derived using varied wavelength suites if all available wavelengths were considered. Here, we explored differences in derived IOPs that stem simply from the use of (eight) different wavelength suites of input radiometric measurements. Using synthesized data and SeaWiFS Level-3 mission-long composites, we demonstrated equivalent SAA performance for all wavelength suites, but that IOP retrievals vary by several percent across wavelength suites and as a function of water type. The differences equate to roughly ≤ 6, 12, and 7% for a(sub dg)(443), a(sub ph)(443), and b(sub bp)(443), respectively, for waters with C(sub a) ≤ 1 mg -cu m. These values shrink for sensors with similar wavelength suites (e.g., SeaWiFS, MODIS, and MERIS) and rise to substantially larger values for higher C(sub a) waters. Our results also indicate that including 400 nm (in the case of OLCI) influences the derived IOPs, using longer wavelengths (>600 nm) influences the derived IOPs when there is a red signal, and, including additional spectral information shows potential for improved IOP estimation, but not without revisiting SAA parameterizations and execution. While modest in scope, we believe this study contributes to the knowledge base for CDR development. The implication of ignoring such an analysis as CDRs continue to be developed is a prolonged inability to distinguish between algorithmic and environmental contributions to trends and anomalies in the IOP time-series.

ocean color satellites↗

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Model Calibration for Cancer Risk Projections According to Uncertain Data

This paper presents forward and inverse formulations for the calibration of computational models according to uncertain data. Uncertainty in the data might be caused by a poor metrology system, measurement noise, missing or uncontrollable input variables, or by the inability to directly measure the inputs and/or outputs of interest. The forward approach performs the calibration in the space of the model’s output thereby requiring repeated model simulations. Conversely, the inverse approach leverages an ensemble of solutions to an inverse problem in order to perform the calibration in the space of the model’s parameters. As such, the computational demands of the inverse approach are considerably lower. These strategies are applied to the calibration of a radiation model that in-forms cancer risk projections for future deep space missions.

uncertainty quantification↗

Optimizing Retrieval Spaces of Bio-Optical Models for Remote Sensing of Ocean Color

We investigated the optimal number of independent parameters required to accurately represent spectral remote sensing reflectances (𝑅 rs ) by performing principal component analysis on quality controlled in situ and synthetic 𝑅 rs data. We found that retrieval algorithms should be able to retrieve no more than four free parameters from 𝑅 rs spectra for most ocean waters. In addition, we evaluated the performance of five different bio-optical models with different numbers of free parameters for the direct inversion of in-water inherent optical properties (IOPs) from in situ and synthetic 𝑅 rs data. The multi-parameter models showed similar performances regardless of the number of parameters. Considering the computational cost associated with larger parameter spaces, we recommend bio-optical models with three free parameters for the use of IOP or joint retrieval algorithms.

Ocean Color↗