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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

The Algorithm Theoretical Basis Document for the GLAS Atmospheric Data Products

The purpose of this document is to present a detailed description of the algorithm theoretical basis for each of the GLAS data products. This will be the final version of this document. The algorithms were initially designed and written based on the authors prior experience with high altitude lidar data on systems such as the Cloud and Aerosol Lidar System (CALS) and the Cloud Physics Lidar (CPL), both of which fly on the NASA ER-2 high altitude aircraft. These lidar systems have been employed in many field experiments around the world and algorithms have been developed to analyze these data for a number of atmospheric parameters. CALS data have been analyzed for cloud top height, thin cloud optical depth, cirrus cloud emittance (Spinhirne and Hart, 1990) and boundary layer depth (Palm and Spinhirne, 1987, 1998). The successor to CALS, the CPL, has also been extensively deployed in field missions since 2000 including the validation of GLAS and CALIPSO. The CALS and early CPL data sets also served as the basis for the construction of simulated GLAS data sets which were then used to develop and test the GLAS analysis algorithms.

Palm, Stephen P.↗
DOE OSTI2020

Robust framework and software implementation for fast speciation mapping

One of the greatest benefits of synchrotron radiation is the ability to perform chemical speciation analysis through X-ray absorption spectroscopies (XAS). XAS imaging of large sample areas can be performed with either full-field or raster-scanning modalities. A common practice to reduce acquisition time while decreasing dose and/or increasing spatial resolution is to compare X-ray fluorescence images collected at a few diagnostic energies. In this work, several authors have used different multivariate data processing strategies to establish speciation maps. Furthermore, the theoretical aspects and assumptions that are often made in the analysis of these datasets are focused on. A robust framework is developed to perform speciation mapping in large bulk samples at high spatial resolution by comparison with known references. Two fully operational software implementations are provided: a user-friendly implementation within the MicroAnalysis Toolkit software, and a dedicated script developed under the R environment. The procedure is exemplified through the study of a cross section of a typical fossil specimen. Additionally, the algorithm provides accurate speciation and concentration mapping while decreasing the data collection time by typically two or three orders of magnitude compared with the collection of whole spectra at each pixel. Whereas acquisition of spectral datacubes on large areas leads to very high irradiation times and doses, which can considerably lengthen experiments and generate significant alteration of radiation-sensitive materials, this sparse excitation energy procedure brings the total irradiation dose greatly below radiation damage thresholds identified in previous studies. This approach is particularly adapted to the chemical study of heterogeneous radiation-sensitive samples encountered in environmental, material, and life sciences.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Autonomous Anomaly Detection for MPC Forecasts of HVAC Systems in Residential Communities

The use of residential heating, ventilation, and air conditioning (HVAC) to shift peak demand or provide ancillary services is a potential solution in the presence of older grids and distributed renewables. However, to ensure the efficient use of devices, utilities need to accurately forecast the load and adopt error correction schemes when necessary. While significant theoretical research exists in the area of predictive control of HVAC, little experimental evidence exists. The lack of experimental data in turn causes researchers to be unprepared for unsystematic errors which emerge due to the higher complexity of the data generating process. This study offers an anomaly detection methodology that uses unsupervised machine learning algorithms to detect and isolate these errors with different forecast error ranges. The results of anomaly detection procedure can then be used for error correction and would eventually help develop better predictive controllers. The methodology is tested using real world data from a smart neighborhood that currently operates in Atlanta. GA.

Lebakula, Viswadeep↗
DOE OSTI2020

Wave Prediction using X-Band Radar (Final Summary Report)

Model Predictive Control (MPC) is the best controls framework available to wave energy today. It allows for the maximization of energy yield from a WEC system while respecting various constraints and losses in the system. This type of constrained optimization is a critical capability for the techno-economic optimization of WEC devices and is difficult to do effectively with causal controls frameworks. MPC requires a future prediction of wave excitation forces, requiring wave prediction on a future time horizon of up to 30 seconds. The future horizon required is highly dependent on the WEC and PTO type available. To our knowledge no-one has been able to implement MPC on a WEC device at sea, due to the fact that phase-resolved wave-prediction is not a capability that has been sufficiently developed to date. The key objectives of this project are focused on developing “industry-ready” wave prediction technology building blocks that can be applied to a wide range of different wave energy conversion topologies. Our collaborative work with device developers has demonstrated that the level of improvement attainable for any particular device is heavily dependent on the device and PTO topology chosen. The range of annual average power capture improvements is on the order of 10% to over 100%. However, the important aspect is that we can get within about 10% of theoretical upper limits even when considering errors in the wave prediction and more importantly, we can optimize performance while respecting various constraints such as motion amplitude or peak structural loads. The combination of improved performance while limiting structural loads has a net effect of reducing the levelized cost of energy from these emerging technologies and allows us to design control laws that meet an economic optimum. Efforts under a previous project on controls has focused on developing a set of wave-prediction algorithms that work by leveraging a network of wave sensing measurement buoys that are equipped with real-time telemetry. The present work is focusing primarily on using X-band radar to measure the wave-field around the WEC to predict the future excitation forces on the structure and combining the measurements of these different sources to create improvements in the wave-prediction accuracy.

16 TIDAL AND WAVE POWER↗
NASA NTRS2018

ATMS Radiometric Noise Characterization

The Advanced Technology Microwave Sounder (ATMS), on SNPP and NOAA-20, provides vertical atmospheric temperature and moisture profiles that are a key input to numerical weather prediction. Full characterization of radiometric noise is critical to error modeling, algorithm development and the potential development of performance requirements and product improvements. This paper presents estimates of white noise and low-frequency 1/f noise as derived from the Allan variance and scan-to-scan autocorrelations of data from the internal hot calibration. This approach allows direct comparison of on-orbit performance of the two units as well as comparison between ground calibration test data and on-orbit performance. The autocorrelation at multiple scan intervals is used as input to a theoretical model of the NET of inferred scene brightness temperature, when using weighted samples of calibration data over multiple scans. This will support selection of optimized calibration weighting functions for each channel, as well as providing further insight into the striping phenomenon. These measured autocorrelations are also compared to the autocorrelations derived from the 1/f spectra obtained both in special ground and on-orbit tests that characterize gain fluctuation. Channel cross-correlations are also presented, which can have a significant impact on effectiveness of direct assimilation performance.

instrument calibration↗
NASA NTRS2022

Run Time Assurance for Electric Vertical Takeoff and Landing Aircraft

NASA is conducting research to demonstrate and evaluate the application of Run Time Assurance (RTA) as a means to assure safety in Electric Vertical Takeoff and Landing (eVTOL) aircraft with highly automated or autonomous flight capability supervised by a single onboard pilot. The work described in this report demonstrates an application of RTA and examines the implications for design and analysis of aircraft functions and systems; aircraft safety hazards; safety assurance; development assurance; and pilot tasks and performance. This research effort also seeks to assess the efficacy of the combined application of traditional Functional Hazard Analysis (FHA) and the more modern System Theoretic Process Analysis (STPA) techniques to perform hazard analyses on aircraft with complex automated and autonomous systems and an onboard pilot. During the research effort we developed architectural designs of two alternate eVTOL aircraft, generally following the process characterized in the SAE standards ARP4754 and ARP4761. The design has focused on the control architectures of these aircraft, which are identical except that one incorporates RTA techniques to reduce the criticality of some key software components. Artifacts of this process include a taxonomy of aircraft-level functions, aircraft-level architecture diagrams, aircraft-level functional hazard assessments (AFHA), function allocations onto aircraft systems and subsystems, functional block diagrams for a select set of control-related functions, and system-level functional hazard assessments (SFHA) for those functions. This project has highlighted the notion that DAL D is something of a sweet spot for low-confidence controllers in an RTA-based design. Among the many activities described in DO-178C, the activities related to requirement verifiability, algorithmic accuracy, and test coverage can be the most challenging for the kinds of advanced control techniques that may be desirable in novel UAM designs, such as adaptive control, machine-learning, artificial intelligence, numerical search, and Monte Carlo based algorithms. Moreover, the standard requires that development teams demonstrate that errors leading to unacceptable failure conditions have been removed from the software. The RTA architecture, which cordons off the low-confidence function, makes it much easier to show this for these kinds of algorithms. With regard to the use of STPA and FHA as complementary hazard analysis techniques, our research effort led us to the conclusion that STPA should be used to derive requirements for hardware and software systems and/or components. Also, STPA is a natural complement to other processes in ARP4754A involving design studies and iteration.

Run-time assurance↗
NASA NTRS1996

Space-Related Applications of Intelligent Control: Which Algorithm to Choose? (Theoretical Analysis of the Problem)

For a space mission to be successful it is vitally important to have a good control strategy. For example, with the Space Shuttle it is necessary to guarantee the success and smoothness of docking, the smoothness and fuel efficiency of trajectory control, etc. For an automated planetary mission it is important to control the spacecraft's trajectory, and after that, to control the planetary rover so that it would be operable for the longest possible period of time. In many complicated control situations, traditional methods of control theory are difficult or even impossible to apply. In general, in uncertain situations, where no routine methods are directly applicable, we must rely on the creativity and skill of the human operators. In order to simulate these experts, an intelligent control methodology must be developed. The research objectives of this project were: to analyze existing control techniques; to find out which of these techniques is the best with respect to the basic optimality criteria (stability, smoothness, robustness); and, if for some problems, none of the existing techniques is satisfactory, to design new, better intelligent control techniques.

Kreinovich, Vladik↗
DOE OSTI2026

Unitary Qubit Lattice Algorithms for Plasma Physics

This final technical report summarizes research conducted under DOE Award DE-SC0021653 to develop unitary Quantum Lattice Algorithms for modeling electromagnetic wave propagation and scattering in complex media, including plasmas. The project developed and validated quantum-inspired formulations of Maxwell's equations that preserve unitary evolution and can be evaluated on classical high-performance computing systems while providing a foundation for future quantum-computing implementations. Major accomplishments include the development of two- and three-dimensional algorithms for electromagnetic scattering; scalable, distributed-memory implementations demonstrated on the Perlmutter supercomputer; formulations for nonlinear lossless fluid dynamics and cold, lossless, inhomogeneous magnetized plasmas; and an explicit quantum algorithm for a time-discretized Lorenz model. Simulations reproduced a range of characteristic wave phenomena, including transient effects that are not readily apparent in conventional frequency-domain studies, demonstrating the effectiveness of the proposed approach for modeling complex electromagnetic and plasma systems. The work establishes a unified theoretical and computational framework for quantum and quantum-inspired simulation and provides a foundation for future implementation on fault-tolerant quantum systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

Distributed Monitoring of the R(sup 2) Statistic for Linear Regression

The problem of monitoring a multivariate linear regression model is relevant in studying the evolving relationship between a set of input variables (features) and one or more dependent target variables. This problem becomes challenging for large scale data in a distributed computing environment when only a subset of instances is available at individual nodes and the local data changes frequently. Data centralization and periodic model recomputation can add high overhead to tasks like anomaly detection in such dynamic settings. Therefore, the goal is to develop techniques for monitoring and updating the model over the union of all nodes data in a communication-efficient fashion. Correctness guarantees on such techniques are also often highly desirable, especially in safety-critical application scenarios. In this paper we develop DReMo a distributed algorithm with very low resource overhead, for monitoring the quality of a regression model in terms of its coefficient of determination (R2 statistic). When the nodes collectively determine that R2 has dropped below a fixed threshold, the linear regression model is recomputed via a network-wide convergecast and the updated model is broadcast back to all nodes. We show empirically, using both synthetic and real data, that our proposed method is highly communication-efficient and scalable, and also provide theoretical guarantees on correctness.

Bhaduri, Kanishka↗
DOE OSTI2021

Planar Transformer With Asymmetric Integrated Leakage Inductance Using Horizontal Air Gap

This article presents a novel planar-based transformer winding and core structure with controllable leakage inductance generation for integrated magnetics applications. As a result of limitations in integrated magnetics from the literature, a new approach is proposed utilizing semi-interleaved windings and controllable leakage via a leakage flux core leg featuring a horizontal air gap. Here, the proposed transformer design is analyzed via detailed reluctance modeling to determine closed-form equations for the magnetizing and asymmetrically distributed leakage inductances. Next, a genetic-algorithm-based multiobjective design optimization problem is developed, seeking to minimize the core and winding losses of the proposed transformer subject to a set of parametric and geometric constraints in a dc-ac dual-active-bridge topology for microinverter applications. The optimization was extended to include other integrated magnetic structures from the literature, where it is determined that the proposed transformer is superior from the perspectives of efficiency, footprint area, and parasitic capacitance. Based on the results of the optimization analysis, two designs with theoretical transformer California Energy Commission (CEC) efficiency drops (i.e., CEC efficiency reduction specifically due to the transformer loss mechanisms) of 1.19% and 0.83% were fabricated and evaluated for electrical and thermal performance in the proposed 40 V, 400 W microinverter.

42 ENGINEERING↗
NASA NTRS1998

Parallel Directionally Split Solver Based on Reformulation of Pipelined Thomas Algorithm

In this research an efficient parallel algorithm for 3-D directionally split problems is developed. The proposed algorithm is based on a reformulated version of the pipelined Thomas algorithm that starts the backward step computations immediately after the completion of the forward step computations for the first portion of lines This algorithm has data available for other computational tasks while processors are idle from the Thomas algorithm. The proposed 3-D directionally split solver is based on the static scheduling of processors where local and non-local, data-dependent and data-independent computations are scheduled while processors are idle. A theoretical model of parallelization efficiency is used to define optimal parameters of the algorithm, to show an asymptotic parallelization penalty and to obtain an optimal cover of a global domain with subdomains. It is shown by computational experiments and by the theoretical model that the proposed algorithm reduces the parallelization penalty about two times over the basic algorithm for the range of the number of processors (subdomains) considered and the number of grid nodes per subdomain.

Povitsky, A.↗
NASA NTRS2003

Aircraft Turbofan Engine Health Estimation Using Constrained Kalman Filtering

Kalman filters are often used to estimate the state variables of a dynamic system. However, in the application of Kalman filters some known signal information is often either ignored or dealt with heuristically. For instance, state variable constraints (which may be based on physical considerations) are often neglected because they do not fit easily into the structure of the Kalman filter. This paper develops an analytic method of incorporating state variable inequality constraints in the Kalman filter. The resultant filter is a combination of a standard Kalman filter and a quadratic programming problem. The incorporation of state variable constraints increases the computational effort of the filter but significantly improves its estimation accuracy. The improvement is proven theoretically and shown via simulation results obtained from application to a turbofan engine model. This model contains 16 state variables, 12 measurements, and 8 component health parameters. It is shown that the new algorithms provide improved performance in this example over unconstrained Kalman filtering.

Simon, Dan↗
DOE OSTI2022

(3 + 1)-dimensional Schwinger pair production with quantum computers

Real-time quantum simulation of quantum field theory in (3+1)D requires large quantum computing resources. With a few-qubit quantum computer, we develop a novel algorithm and experimentally study the Schwinger effect, the electron-positron pair production in a strong electric field, in (3+1)D. The resource reduction is achieved by treating the electric field as a background field, working in Fourier space transverse to the electric field direction, and considering parity symmetry, such that we successfully map the three spatial dimension problems into one spatial dimension problems. In this work, we observe that the rate of pair production of electrons and positrons is consistent with the theoretical predication of the Schwinger effect. Our work paves the way towards exploring quantum simulation of quantum field theory beyond one spatial dimension.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Collaborative Research: Enabling multi-scale studies of magnetic reconnection with interpretable data-driven models

The development of accurate reduced descriptions and improved closures for magnetic reconnection is an important and a long‐standing challenge in plasma physics. The four‐fluid approach, and associated closures, that were investigated have the potential to improve the accuracy of plasma fluid models, capturing physical effects which would otherwise require a kinetic description. If successful, this approach could have an important impact for the modeling of laboratory and space plasmas. The major goals of this project were to develop new machine learning (ML) tools based on sparse and symbolic regression techniques, and to extract interpretable and generalizable reduced models (e.g., in the form of partial differential equations - PDEs) from data generated by first principles plasma simulations. Preserving interpretability of such data‐driven models is key to addressing the long‐standing theoretical and numerical challenges. Prior proof‐of‐principle studies have demonstrated the enormous potential of this approach, by recovering the well‐established hierarchy of plasma equations (from Vlasov to MHD) from data produced by particle‐in‐cell (PIC) simulations. Our goal in this project was to extend and apply these new tools to construct better kinetic closures for magnetic reconnection; to derive better models of particle injection and acceleration by this fundamental plasma process; and to use this understanding to accelerate the development of multi‐scale plasma algorithms. While our immediate focus was on the problem of magnetic reconnection, the tools that were will developed are general and applicable to other areas of plasma physics, and more broadly to many‐body phenomena. We anticipate that the development of these multi‐scale models will have a significant impact across different areas of plasma science, from fusion to space and astrophysical plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Theoretical Investigation of Delafossite-Cu 2 ZnSnO 4 as a Promising Photovoltaic Absorber

In the quest for efficient and cost-effective photovoltaic absorber materials beyond silicon, considerable attention has been directed toward exploring alternatives. One such material, zincblende-derived Cu2ZnSnS4 (CZTS), has shown promise due to its ideal band gap size and high absorption coefficient. However, challenges such as structural defects and secondary phase formation have hindered its development. In this study, we examine the potential of another compound, Cu2ZnSnO4 (CZTO), with a similar composition to CZTS as a promising alternative. Employing ab initio density function theory (DFT) calculations in combination with an evolutionary structure prediction algorithm, we identify that the crystalline phase of delafossite structure is the most stable among the 900 (meta)stable CZTO. Its thermodynamic stability at room temperature is also confirmed by the molecular dynamics study. Excitingly, this new phase of CZTO displays a direct band gap where the dipole-allowed transition occurs, making it a strong candidate for efficient light absorptions. Furthermore, the estimation of spectroscopic limited maximum efficiency (SLME) directly demonstrates the high potential of delafossite-CZTO as a photovoltaic absorber. Our numerical results suggest that delafossite-CZTO holds promise for future photovoltaic applications.

14 SOLAR ENERGY↗
DOE OSTI2021

Single-Molecule Kinetics of Styrene Hydrogenation on Silica-Supported Vanadium: The Role of Disorder for Single-Atom Catalysts

We report a theoretical approach for the study of supported atom catalysis is developed based on recent advances in the study of single-molecule kinetics. This view is particularly useful in exhibiting the role of disorder in single-atom and single-site catalysts on amorphous supports. The distribution of passage times (or waiting times) through a complex catalytic network originating from a set of coupled active sites is described by a probability distribution function (PDF), f(t), that reflects the local environment of the reaction center. An efficient algorithm is developed based on the linear algebra of the Markov transition matrix that produces f(t) or its moments. The kinetics of the hydrogenation reaction of styrene on an organovanadium(III) catalyst supported on amorphous silica is studied. A kinetic model consisting of three intertwined catalytic cycles emanating from three chemically distinct active sites is proposed to describe the chemistry. Density functional theory (DFT) calculations are employed to determine the free energy barriers of the reactions, which are used to construct the rate coefficient matrix. The disorder induced by the amorphous support material is divided into a low-dimensional short-range component reflecting the covalent structures near the reaction center and a weaker long-range component modeling the bulk randomness. The results are computed and analyzed for a wide range of concentration values and disorder scenarios. The unusual structure in the f(t) PDF is found to occur for certain cases that reveal the contribution of multiple catalytic pathways acting in concert.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Accelerating resonant spectroscopy simulations using multishifted biconjugate gradient

Resonant spectroscopies, which involve intermediate states with finite lifetimes, provide important insights into collective excitations in quantum materials that are otherwise inaccessible. However, theoretical understanding in this area is often limited by the numerical challenges of solving Kramers-Heisenberg-type response functions for large-scale systems. To address this, we introduce a multishifted biconjugate gradient algorithm that exploits the shared structure of Krylov subspaces across spectra with varying incident energies, effectively reducing the computational complexity to that of linear spectroscopies. Both mathematical proofs and numerical benchmarks confirm that this algorithm substantially accelerates spectral simulations, achieving constant complexity independent of the number of incident energies, while ensuring accuracy and stability. This development provides a scalable, versatile framework for simulating advanced spectroscopies in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Estimating Sparse Direct Effects in Multivariate Regression With the Spike-and-Slab LASSO

The multivariate regression interpretation of the Gaussian chain graph model simultaneously parametrizes (i) the direct effects of p predictors on q outcomes and (ii) the residual partial covariances between pairs of outcomes. We introduce a new method for fitting sparse versions of these models with spike-and-slab LASSO (SSL) priors. We develop an Expectation Conditional Maximization algorithm to obtain sparse estimates of the p × q matrix of direct effects and the q × q residual precision matrix. Our algorithm iteratively solves a sequence of penalized maximum likelihood problems with self-adaptive penalties that gradually filter out negligible regression coefficients and partial covariances. Because it adaptively penalizes individual model parameters, our method is seen to outperform fixed-penalty competitors on simulated data. We establish the posterior contraction rate for our model, buttressing our method’s excellent empirical performance with strong theoretical guarantees. Using our method, we estimated the direct effects of diet and residence type on the composition of the gut microbiome of elderly adults.

EM algorithm↗