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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2008

Improved Surface Parameter Retrievals using AIRS/AMSU Data

The AIRS Science Team Version 5.0 retrieval algorithm became operational at the Goddard DAAC in July 2007 generating near real-time products from analysis of AIRS/AMSU sounding data. This algorithm contains many significant theoretical advances over the AIRS Science Team Version 4.0 retrieval algorithm used previously. Two very significant developments of Version 5 are: 1) the development and implementation of an improved Radiative Transfer Algorithm (RTA) which allows for accurate treatment of non-Local Thermodynamic Equilibrium (non-LTE) effects on shortwave sounding channels; and 2) the development of methodology to obtain very accurate case by case product error estimates which are in turn used for quality control. These theoretical improvements taken together enabled a new methodology to be developed which further improves soundings in partially cloudy conditions. In this methodology, longwave C02 channel observations in the spectral region 700 cm(exp -1) to 750 cm(exp -1) are used exclusively for cloud clearing purposes, while shortwave C02 channels in the spectral region 2195 cm(exp -1) 2395 cm(exp -1) are used for temperature sounding purposes. This allows for accurate temperature soundings under more difficult cloud conditions. This paper further improves on the methodology used in Version 5 to derive surface skin temperature and surface spectral emissivity from AIRS/AMSU observations. Now, following the approach used to improve tropospheric temperature profiles, surface skin temperature is also derived using only shortwave window channels. This produces improved surface parameters, both day and night, compared to what was obtained in Version 5. These in turn result in improved boundary layer temperatures and retrieved total O3 burden.

Susskind, Joel↗
NASA NTRS1987

Multigrid applied to singular perturbation problems

The solution of the singular perturbation problem by a multigrid algorithm is considered. Theoretical and experimental results for a number of different discretizations are presented. The theoretical and observed rates agree with the results developed in an earlier work of Kamowitz and Parter. In addition, the rate of convergence of the algorithm when the coarse grid operator is the natural finite difference analog of the fine grid operator is presented. This is in contrast to the case in the previous work where the Galerkin choice (I sup H sub h L sub h,I sup h sub H) was used for the coarse grid operators.

Kamowitz, David↗
NASA NTRS2007

Improved Atmospheric Soundings and Error Estimates from Analysis of AIRS/AMSU Data

The AIRS Science Team Version 5.0 retrieval algorithm became operational at the Goddard DAAC in July 2007 generating near real-time products from analysis of AIRS/AMSU sounding data. This algorithm contains many significant theoretical advances over the AIRS Science Team Version 4.0 retrieval algorithm used previously. Three very significant developments of Version 5 are: 1) the development and implementation of an improved Radiative Transfer Algorithm (RTA) which allows for accurate treatment of non-Local Thermodynamic Equilibrium (non-LTE) effects on shortwave sounding channels; 2) the development of methodology to obtain very accurate case by case product error estimates which are in turn used for quality control; and 3) development of an accurate AIRS only cloud clearing and retrieval system. These theoretical improvements taken together enabled a new methodology to be developed which further improves soundings in partially cloudy conditions, without the need for microwave observations in the cloud clearing step as has been done previously. In this methodology, longwave C02 channel observations in the spectral region 700 cm-' to 750 cm-' are used exclusively for cloud clearing purposes, while shortwave C02 channels in the spectral region 2195 cm-' to 2395 cm-' are used for temperature sounding purposes. The new methodology for improved error estimates and their use in quality control is described briefly and results are shown indicative of their accuracy. Results are also shown of forecast impact experiments assimilating AIRS Version 5.0 retrieval products in the Goddard GEOS 5 Data Assimilation System using different quality control thresholds.

Susskind, Joel↗
DOE OSTI2024

Machine learning-guided design, synthesis, and characterization of atomically dispersed electrocatalysts

The recent integration of machine learning into materials design has revolutionized the understanding of structure–property relationships and optimization of material properties beyond the trial-and-error paradigm. On one hand, machine learning has significantly accelerated the development of atomically dispersed metal-nitrogen-carbon (M-N-C) electrocatalysts, which traditionally heavily relied on heuristic approaches. On the other hand, the primary challenge of leveraging machine learning to expedite M-N-C materials discovery lies in the cost associated with data collection. Here, we review recent machine learning integration strategies for M-N-C catalyst development, including discussions on the typical algorithms such as symbolic regression and convolutional neural networks employed for the theoretical design, synthesis optimization via active learning, and advanced microscopy characterization. Subsequently, we provide our perspective on potential near-future directions for furthering machine learning-assisted development of new M-N-C catalysts and elucidating the complex physicochemical mechanisms governing the selectivity, activity, and durability in this class of materials.

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

Ca X ML: Chemistry‐informed machine learning explains mutual changes between protein conformations and calcium ions in calcium‐binding proteins using structural and topological features

Proteins' flexibility is a feature in communicating changes in cell signaling instigated by binding with secondary messengers, such as calcium ions, associated with the coordination of muscle contraction, neurotransmitter release, and gene expression. When binding with the disordered parts of a protein, calcium ions must balance their charge states with the shape of calcium-binding proteins and their versatile pool of partners depending on the circumstances they transmit. Accurately determining the ionic charges of those ions is essential for understanding their role in such processes. However, it is unclear whether the limited experimental data available can be effectively used to train models to accurately predict the charges of calcium-binding protein variants. Here, we developed a chemistry-informed, machine-learning algorithm that implements a game theoretic approach to explain the output of a machine-learning model without the prerequisite of an excessively large database for high-performance prediction of atomic charges. We used the ab initio electronic structure data representing calcium ions and the structures of the disordered segments of calcium-binding peptides with surrounding water molecules to train several explainable models. Network theory was used to extract the topological features of atomic interactions in the structurally complex data dictated by the coordination chemistry of a calcium ion, a potent indicator of its charge state in protein. Our design created a computational tool of Ca X ML, which provided a framework of explainable machine learning model to annotate ionic charges of calcium ions in calcium-binding proteins in response to the chemical changes in an environment. Our framework will provide new insights into protein design for engineering functionality based on the limited size of scientific data in a genome space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Probabilistic Finite Element: Variational Theory

The goal of this research is to provide techniques which are cost-effective and enable the engineer to evaluate the effect of uncertainties in complex finite element models. Embedding the probabilistic aspects in a variational formulation is a natural approach. In addition, a variational approach to probabilistic finite elements enables it to be incorporated within standard finite element methodologies. Therefore, once the procedures are developed, they can easily be adapted to existing general purpose programs. Furthermore, the variational basis for these methods enables them to be adapted to a wide variety of structural elements and to provide a consistent basis for incorporating probabilistic features in many aspects of the structural problem. Tasks concluded include the theoretical development of probabilistic variational equations for structural dynamics, the development of efficient numerical algorithms for probabilistic sensitivity displacement and stress analysis, and integration of methodologies into a pilot computer code.

Belytschko, T.↗
NASA NTRS1986

High resolution imaging

Diffraction-limited telescopic observations were obtained of solar system objects and a program of research into Uranus, Neptune, Pluto and the asteroids based upon the data obtained was persued. Two camera systems appropriate for this work were developed. Most importantly, the PAPA photon address camera was developed and proven. Algorithms were developed for both phase and amplitude recovery and were validated on theoretical and laboratory data and to a limited extent on telescopic data. A laboratory simulator was constructed that was used for development but is also available for controlled investigation of image reconstruction. During 1985 two successful expeditions were made to Hawaii and Cerro Tololo and a large body of data on Pluto, Uranus, Neptune and two asteroids are on tape.

Goody, R.↗
NASA NTRS1977

A survey of compiler development aids

A theoretical background was established for the compilation process by dividing it into five phases and explaining the concepts and algorithms that underpin each. The five selected phases were lexical analysis, syntax analysis, semantic analysis, optimization, and code generation. Graph theoretical optimization techniques were presented, and approaches to code generation were described for both one-pass and multipass compilation environments. Following the initial tutorial sections, more than 20 tools that were developed to aid in the process of writing compilers were surveyed. Eight of the more recent compiler development aids were selected for special attention - SIMCMP/STAGE2, LANG-PAK, COGENT, XPL, AED, CWIC, LIS, and JOCIT. The impact of compiler development aids were assessed some of their shortcomings and some of the areas of research currently in progress were inspected.

Buckles, B. P.↗
NASA NTRS1988

The use of multigrid techniques in the solution of the Elrod algorithm for a dynamically loaded journal bearing

A numerical solution to a theoretical model of vapor cavitation in a dynamically loaded journal bearing is developed, utilizing a multigrid iterative technique. The code is compared with a presently existing direct solution in terms of computational time and accuracy. The model is based on the Elrod algorithm, a control volume approach to the Reynolds equation which mimics the Jakobssen-Floberg and Olsson cavitation theory. Besides accounting for a moving cavitation boundary and conservation of mass at the boundary, it also conserves mass within the cavitated region via liquid striations. The mixed nature of the equations (elliptic in the full film zone and nonelliptic in the cavitated zone) coupled with the dynamic aspects of the problem create interesting difficulties for the present solution approach. Emphasis is placed on the methods found to eliminate solution instabilities. Excellent results are obtained for both accuracy and reduction of computational time.

Woods, Claudia M.↗
DOE OSTI2022

Ensuring Transient Stability With Guaranteed Region of Attraction in DC Microgrids

DC microgrids have promising applications in renewable integration due to their better energy efficiency when connecting DC components. However, they might be unstable since many loads in a DC microgrid are regulated as constant power loads (CPLs) that have a destabilizing negative impedance effect. As a result, the state trajectory displacement caused by abrupt load changes or contingencies can easily lead to instability. Many existing works have been devoted to studying the region of attraction (ROA) of a DC microgrid, in which the system is guaranteed to be asymptotically stable. Nevertheless, existing work either focuses on using numerical methods for ROA approximations that generally have no performance guarantees or cannot ensure a desired ROA for a general DC microgrid. To close this gap, this paper develops an innovative control synthesis algorithm to make a general DC microgrid have a theoretically guaranteed ROA, for example, to cover the entirety of its operating range regarding state trajectories. Here, we first study the nonlinear dynamics of a DC microgrid to derive a novel transient stability condition to rigorously certify whether a given operating range is a subset of the ROA; then, we formulate a control synthesis optimization problem to guarantee the condition’s satisfaction. This condition is a linear constraint, and the optimization problem resembles an optimal power flow problem and has a good computational behavior. Simulation case studies verify the validity of the proposed work.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1984

Research Review, 1983

The Global Modeling and Simulation Branch (GMSB) of the Laboratory for Atmospheric Sciences (GLAS) is engaged in general circulation modeling studies related to global atmospheric and oceanographic research. The research activities discussed are organized into two disciplines: Global Weather/Observing Systems and Climate/Ocean-Air Interactions. The Global Weather activities are grouped in four areas: (1) Analysis and Forecast Studies, (2) Satellite Observing Systems, (3) Analysis and Model Development, (4) Atmospheric Dynamics and Diagnostic Studies. The GLAS Analysis/Forecast/Retrieval System was applied to both FGGE and post FGGE periods. The resulting analyses have already been used in a large number of theoretical studies of atmospheric dynamics, forecast impact studies and development of new or improved algorithms for the utilization of satellite data. Ocean studies have focused on the analysis of long-term global sea surface temperature data, for use in the study of the response of the atmosphere to sea surface temperature anomalies. Climate research has concentrated on the simulation of global cloudiness, and on the sensitivities of the climate to sea surface temperature and ground wetness anomalies.

Source record↗
NASA NTRS1993

Grid sensitivity for aerodynamic optimization and flow analysis

After reviewing relevant literature, it is apparent that one aspect of aerodynamic sensitivity analysis, namely grid sensitivity, has not been investigated extensively. The grid sensitivity algorithms in most of these studies are based on structural design models. Such models, although sufficient for preliminary or conceptional design, are not acceptable for detailed design analysis. Careless grid sensitivity evaluations, would introduce gradient errors within the sensitivity module, therefore, infecting the overall optimization process. Development of an efficient and reliable grid sensitivity module with special emphasis on aerodynamic applications appear essential. The organization of this study is as follows. The physical and geometric representations of a typical model are derived in chapter 2. The grid generation algorithm and boundary grid distribution are developed in chapter 3. Chapter 4 discusses the theoretical formulation and aerodynamic sensitivity equation. The method of solution is provided in chapter 5. The results are presented and discussed in chapter 6. Finally, some concluding remarks are provided in chapter 7.

Sadrehaghighi, I.↗
NASA NTRS2022

Global Energy and Water Exchanges Program Surface Radiation Budget Release 4 Integrated Product: Algorithm Theoretical Basis Document

This document represents the Algorithm Theoretical Basis Document (ATBD) describing the NASA Langley Research Center's Surface Radiation budget (SRB) developed in collaboration with the World Research Climate Programme's Global Energy and Water Exchanges Program. The top of atmosphere and surface fluxes span from July 1, 1983 through June 30, 2017. The shortwave or solar wavelengths span the entire record. The thermal infrared or longwave fluxes span globally from January 1, 1988 to December 30, 2009. Before 1988, only the land-only fluxes are available. After 2009 only the ocean fluxes are available. This document describes all the inputs and radiative transfer algorithms used to generate the TOA and surface radiative fluxes. The fluxes include upward and downward, all-sky, clear-sky and pristine sky conditions. Surface net fluxes and cloud radiative effect are computed and presented as part of the analysis. Comparisons to other data products are made to assess the top-of-atmosphere and surface fluxes. Additionally, surface measurements are utilized to validation the surface fluxes. The surface validation analysis shows the the radiative fluxes are improved compared to the previous version. Data set cautions are also presented.

surface radiation budget↗
DOE OSTI2026

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1994

Aspects of Unstructured Grids and Finite-Volume Solvers for the Euler and Navier-Stokes Equations

One of the major achievements in engineering science has been the development of computer algorithms for solving nonlinear differential equations such as the Navier-Stokes equations. These algorithms are now used in the practical engineering design of devices such as cars and airplanes as well as theoretical studies of complex phenomena such as fluid turbulence. In past years, limited computer resources have motivated the development of efficient numerical methods in computational fluid dynamics (CFD) utilizing structured meshes. These meshes are comprised of systematic arrays of quadrilateral or hexahedral cells. The use of structured meshes greatly simplifies the implementation of CFD algorithms on conventional computers. Structured meshes also permit the use of highly efficient solution techniques such as alternating direction implicit (ADI) iteration schemes or multigrid. Following the dramatic improvement in computing speed in recent years, emphasis has shifted towards the design of algorithms capable of treating complex geometries. The automatic generation of structured grids about complex geometries is problematic. Unstructured grids offer one promising alternative technique for treating these general geometries. Unstructured meshes have irregular connectivity and usually contain triangles and/or quadrilaterals in two dimensions and tetrahedra and/or hexahedra in three dimensions. The generation and use of unstructured grids poses new challenges in computational fluid dynamics. This is true for both grid generation as well as for the design of algorithms for flow solution. The purpose of these notes is to present recent developments in the unstructured grid generation and flow solution technology.

Barth, T. J.↗
NASA NTRS1988

The solution of the Elrod algorithm for a dynamically loaded journal bearing using multigrid techniques

A numerical solution to a theoretical model of vapor cavitation in a dynamically loaded journal bearing is developed utilizing a multigrid iteration technique. The method is compared with a noniterative approach in terms of computational time and accuracy. The computational model is based on the Elrod algorithm, a control volume approach to the Reynolds equation which mimics the Jakobsson-Floberg and Olsson cavitation theory. Besides accounting for a moving cavitation boundary and conservation of mass at the boundary, it also conserves mass within the cavitated region via a smeared mass or striated flow extending to both surfaces in the film gap. The mixed nature of the equations (parabolic in the full film zone and hyperbolic in the cavitated zone) coupled with the dynamic aspects of the problem create interesting difficulties for the present solution approach. Emphasis is placed on the methods found to eliminate solution instabilities. Excellent results are obtained for both accuracy and reduction of computational time.

Woods, Claudia M.↗
NASA NTRS1989

The solution of the Elrod algorithm for a dynamically loaded journal bearing using multigrid techniques

A numerical solution to a theoretical model of vapor cavitation in a dynamically loaded journal bearing is developed utilizing a multigrid iteration technique. The method is compared with a noniterative approach in terms of computational time and accuracy. The computational model is based on the Elrod algorithm, a control volume approach to the Reynolds equation which mimics the Jakobsson-Floberg and Olsson cavitation theory. Besides accounting for a moving cavitation boundary and conservation of mass at the boundary, it also conserves mass within the cavitated region via a smeared mass or striated flow extending to both surfaces in the film gap. The mixed nature of the equations (parabolic in the full film zone and hyperbolic in the cavitated zone) coupled with the dynamic aspects of the problem create interesting difficulties for the present solution approach. Emphasis is placed on the methods found to eliminate solution instabilities. Excellent results are obtained for both accuracy and reduction of computational time.

Woods, C. M.↗