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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Visible-Light-Driven, Iridium-Catalyzed Hydrogen Atom Transfer: Mechanistic Studies, Identification of Intermediates, and Catalyst Improvements

The harvesting of visible light is a powerful strategy for the synthesis of weak chemical bonds involving hydrogen that are below the thermodynamic threshold for spontaneous H 2 evolution. Piano-stool iridium hydride complexes are effective for the bluelight- driven hydrogenation of organic substrates and contrathermodynamic dearomative isomerization. In this work, a combination of spectroscopic measurements, isotopic labeling, structure–reactivity relationships, and computational studies has been used to explore the mechanism of these stoichiometric and catalytic reactions. Photophysical measurements on the iridium hydride catalysts demonstrated the generation of long-lived excited states with principally metal-to-ligand charge transfer (MLCT) character. Transient absorption spectroscopic studies with a representative substrate, anthracene revealed a diffusion-controlled dynamic quenching of the MLCT state. The triplet state of anthracene was detected immediately after the quenching events, suggesting that triplet–triplet energy transfer initiated the photocatalytic process. The key role of triplet anthracene on the post-energy transfer step was further demonstrated by employing photocatalytic hydrogenation with a triplet photosensitizer and a HAT agent, hydroquinone. DFT calculations support a concerted hydrogen atom transfer mechanism in lieu of stepwise electron/proton or proton/electron transfer pathways. Kinetic monitoring of the deactivation channel established an inverse kinetic isotope effect, supporting reversible C(sp 2 )–H reductive coupling followed by rate-limiting ligand dissociation. Mechanistic insights enabled design of a piano-stool iridium hydride catalyst with a rationally modified supporting ligand that exhibited improved photostability under blue light irradiation. The complex also provided improved catalytic performance toward photoinduced hydrogenation with H 2 and contra-thermodynamic isomerization.

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

Efficient Hamiltonian encoding algorithms for extracting quantum control mechanism as interfering pathway amplitudes in the Dyson series

Hamiltonian encoding is a methodology for revealing the mechanism behind the dynamics governing controlled quantum systems. In this paper, following Mitra and Rabitz \cite{abhra_1}, we define mechanism via pathways of eigenstates that describe the evolution of the system, where each pathway is associated with a complex-valued amplitude corresponding to a term in the Dyson series. The evolution of the system is determined by the constructive and destructive interference of these pathway amplitudes. Pathways with similar attributes can be grouped together into pathway classes. The amplitudes of pathway classes are computed by modulating the Hamiltonian matrix elements and decoding the subsequent evolution of the system rather than by direct computation of the individual terms in the Dyson series. The original implementation of Hamiltonian encoding was computationally intensive and became prohibitively expensive in large quantum systems. This paper presents two new encoding algorithms that calculate the amplitudes of pathway classes by using techniques from graph theory and algebraic topology to exploit patterns in the set of allowed transitions, greatly reducing the number of matrix elements that need to be modulated. These new algorithms provide an exponential decrease in both computation time and memory utilization with respect to the Hilbert space dimension of the system. To demonstrate the use of these techniques, they are applied to two illustrative state-to-state transition problems.

Abrams, Erez [Princeton University, Massachusetts ↗
NASA NTRS1983

Single-wire swirl flow turbulence measurements

A six-orientation, single wire hot wire technique is used to investigate nonswirling and swirling nonreacting flow in an axisymmetric test section with expansion ratio (test section/inlet nozzle diameter) = 2, which may be equipped with a strong contraction nozzle of area ratio 4 at a contraction nozzle downstream distance/test section diameter value = 2. The flowfield contains corner and central recirculation zones typical of gas turbine and ramjet combustion chambers. Swirl may be imparted to the incoming flow by means of a variable angle vane swirler. The effect of swirl on time mean velocities and complete Reynolds stress tensor is investigated, and extensive results are given for swirl vane angles of zero (swirler removed), 38, 45, 60 and 70 deg. The data are being used to aid in the evolution of turbulence models for these complex flow situations. A directional sensitivity analysis is included, which determines the relative accuracy of the measurement technique to approach velocity orientation.

Lilley, D. G.↗
NASA NTRS1985

Quantitative analysis in megageomorphology

Megageomorphology is the study of regional topographic features and their relations to independent geomorphic variables that operate at the regional scale. These independent variables can be classified as either tectonic or climatic in nature. Quantitative megageomorphology stresses the causal relations between plate tectonic factors and landscape features or correlations between climatic factors and geomorphic processes. In addition, the cumulative effects of tectonics and climate on landscape evolution that simultaneously operate in a complex system of energy transfer is of interst. Regional topographic differentiation, say between continents and ocean floors, is largely the result of the different densities and density contrasts within the oceanic and continental lithosphere and their isostatic consequences. Regional tectonic processes that alter these lithospheric characteristics include rifting, collision, subduction, transpression and transtension.

Mayer, L.↗
NASA NTRS1992

Space Science Reviews volume on Galileo Mission overview

The Galileo Mission, rather than a 'Jupiter mission' per se, is an integrated project encompassing multidisciplinary objectives regarding the whole of the Jovian system. This system is important in view of insights it affords into the conditions of the early solar nebula, as well as into the complex, interacting processes involved in planetary evolution. Jupiter itself is the focus of interest in virtue of representing a transitional object between the terrestrial planets and stars; its composition may be virtually unaltered from that of the original solar nebula. The Jovian system in its entirety presents basic questions regarding its satellite and ring system, which constitute a 'minisolar system'. The Galileo spacecraft consists of an Orbiter and an atmospheric entry Probe.

Johnson, T. V.↗
NASA NTRS1996

Grant Proposal for the Continuation of the Voyager Interstellar Mission: LECP Investigation

This proposal documents the plans of the Low Energy Charged Particle (LECP) investigation team for participation in NASA's Voyager Interstellar Mission (VIM) as the Voyager 1 and 2 spacecraft explore the outer reaches of the heliosphere and search for the termination shock and the heliopause. The proposal covers the four year period from 1 January 1997 to 31 December 2000. The LECP instruments on Voyager 1 and 2 measure in situ intensities of charged particles with energies from about 30 keV to 100 MeV for ions, and about 20 keV to greater than 10 MeV for electrons. The instruments provide detailed spectral, angular, and compositional information about the particles. Composition is available for greater than 200 keV/nuc using multi-parameter measurements. Angular information is obtained by a mechanically scanned platform that rotates at various commanded rates. Measurements of low energy ion and electron intensities versus time and spatial location within the heliosphere contain an abundance of information regarding various transport and acceleration processes on both local (approx. 1 hr, approx. 0.01 AU) and global (approx. 11 yrs, approx. 100 AU) scales. The LECP instruments provide unique observations of such dynamical processes, and we anticipate that it will return critical information regarding the boundaries of the heliosphere. Several recent and exciting discoveries based on LECP measurements emphasize the important role that low energy charged particle distributions play in physical processes in the interplanetary medium. Yet, at the same time, these discoveries also underscore the fact that our understanding of processes in the outer heliosphere is, in most cases, incomplete, and in others, only rudimentary at best. Among the discoveries referred to above are the following: (1) Shocks: Examination of greater than 30 keV ion intensities have revealed: (a) a total absence of acceleration beyond only -100-200 keV at a strong transient shock in May 1991 at 35 AU, despite an enhanced level of seed particles; (b) a large transient shock in September 1991 of global scale, with intensities of shock-accelerated ions greater than or equal to 30 keV to approx. 30 MeV showing complex, highly energy-dependent spatial evolution, and small-scale (approx. few gyroradii), often anisotropic, micro-structures; (c) recurrent intensity increases in greater than or equal to 30 keV to -few MeV ions, with structures that, in some cases, show no correlation with the associated corotating shock. (2) Superthermal ion pressure: A global merged interaction region with a leading shock, downstream of which the superthermal ion (greater than or equal to 30 keV to approx. 4 MeV) pressure is comparable to that of the thermal plasma, and the total particle pressure yields a plasma beta of order unity. (3) Pickup ions: Measurements of the C/O ratio within transient structures at 35-45 AU showing the first clear evidence that transient shocks can pre-accelerate interstellar pickup ions from approx. 1 keV/nuc to at least 1 MeV/nuc. (4) Seed particles: Injection of ions for acceleration to high energies at the termination shock is unlikely to be a problem, since interplanetary transient and recurrent shocks are continually accelerating ions, of solar wind or interstellar origin, to highly superthermal energies. (5) Precursor electrons: Ambient solar electrons (greater than or equal to few tens of keV) that exist in the outer heliosphere ca form a broad precursor, several days wide, that is upstream of the termination shock and potentially observable a few months prior to the shock crossing. (6) Solar wind velocity at Voyager 1: We can use LECP ion data to obtain the solar wind velocity at Voyager 1, enabling us to provide critical measurement of the plasma flow as we approach and encounter the termination shock and other regions (necessary due to the partial failure of the Voyager 1 PLS experiment). The work of the LECP investigator team during the VIM will include: (1) Continuing operations with regard to the receipt, processing, verification, cataloging, display, and distribution of the data from the LECP instruments on Voyager 1 and 2, (2) Monitoring the health and performance of the LECP instruments, and evaluating and characterizing the response of the LECP instruments to various energetic particle and plasma environments, (3) Participating in, and supporting Voyager Project planning exercises and other coordinated activities relevant to exploration of the outer heliosphere, (4) Developing analysis techniques and operational procedures suitable for searching for and characterizing the boundaries and unique regions of the outher heliosphere, (5) Continuing the preparation of data sets appropriate for submission to the National Space Sciences Data Center (NSSDC) and, where appropriate, the Planetary Data System (PDS), (6) Maintaining direct Web access to online LECP data through the JHU/APL Voyager LECP home page, (7) Performing scientific evaluations of the Voyager 1 and 2 LECP data sets in conjunction with other data sets and other investigators, with particular focus on the outer regions of the heliosphere, and (8) Publishing the results of these evaluations in the scientific literature and presenting the results in scientific conferences.

Krimigis, Stamatios M.↗
NASA NTRS2000

Analytical and Computational Properties of Distributed Approaches to MDO

Historical evolution of engineering disciplines and the complexity of the MDO problem suggest that disciplinary autonomy is a desirable goal in formulating and solving MDO problems. We examine the notion of disciplinary autonomy and discuss the analytical properties of three approaches to formulating and solving MDO problems that achieve varying degrees of autonomy by distributing the problem along disciplinary lines. Two of the approaches-Optimization by Linear Decomposition and Collaborative Optimization-are based on bi-level optimization and reflect what we call a structural perspective. The third approach, Distributed Analysis Optimization, is a single-level approach that arises from what we call an algorithmic perspective. The main conclusion of the paper is that disciplinary autonomy may come at a price: in the bi-level approaches, the system-level constraints introduced to relax the interdisciplinary coupling and enable disciplinary autonomy can cause analytical and computational difficulties for optimization algorithms. The single-level alternative we discuss affords a more limited degree of autonomy than that of the bi-level approaches, but without the computational difficulties of the bi-level methods. Key Words: Autonomy, bi-level optimization, distributed optimization, multidisciplinary optimization, multilevel optimization, nonlinear programming, problem integration, system synthesis

Alexandrov, Natalia M.↗
NASA NTRS2004

Lunar and Planetary Science XXXV: Achondrites: An Awesome Assortment

The session "chondrites: An Awesome Assortment" included the following reports:Nucleation of the Widmanstatten Pattern in Iron Meteorites; Compositions of the Group IVB Iron Meteorites; Sm-Nd Age and Initial 87Sr/86Sr for Yamato 980318: An Old Cumulate Eucrite; Petrology of New Stannern-trend Eucrites and Eucrite Genesis; The Dichotomous HED Meteorite Suite; Early Thermal Evolution of HED Parent Body; Thermal History of the Lodranite Yamato 74357: Constraints from Compositional Zoning and Fe-Mg Ordering; Late Thermal Evolution of Acapulcoites-Lodranites Parent Body: Evidence from Sm-Nd Isotopes and Trace Elements of the LEW 86220 Acapulcoite; Partial Melting Under Reducing Conditions: How are Primitive Achondrites Formed?; Evolution of the Ureilite Parent Body; Complex, Contrasting Behavior of Chromium During Late-Stage Processes in Ureilites; Sahara 99555 and D Orbigny: Possible Pristine Parent Magma of Quenched Angrites; and Devolatilized-Allende Partial Melts as an Analog for Primitive Angrite Magmas.

Source record↗
NASA NTRS1998

A Web-Based Monitoring System for Multidisciplinary Design Projects

In today's competitive environment, both industry and government agencies are under pressure to reduce the time and cost of multidisciplinary design projects. New tools have been introduced to assist in this process by facilitating the integration of and communication among diverse disciplinary codes. One such tool, a framework for multidisciplinary computational environments, is defined as a hardware and software architecture that enables integration, execution, and communication among diverse disciplinary processes. An examination of current frameworks reveals weaknesses in various areas, such as sequencing, displaying, monitoring, and controlling the design process. The objective of this research is to explore how Web technology, integrated with an existing framework, can improve these areas of weakness. This paper describes a Web-based system that optimizes and controls the execution sequence of design processes; and monitors the project status and results. The three-stage evolution of the system with increasingly complex problems demonstrates the feasibility of this approach.

Rogers, James L.↗
NASA NTRS2011

The Helioseismic and Magnetic Imager (HMI) Investigation for the Solar Dynamics Observatory (SDO)

The Helioseismic and Magnetic Imager (HMI) instrument and investigation as a part of the NASA Solar Dynamics Observatory (SDO) is designed to study convection-zone dynamics and the solar dynamo, the origin and evolution of sunspots, active regions, and complexes of activity, the sources and drivers of solar magnetic activity and disturbances, links between the internal processes and dynamics of the corona and heliosphere, and precursors of solar disturbances for space-weather forecasts. A brief overview of the instrument, investigation objectives, and standard data products is presented.

Helioseismology↗
NASA NTRS2013

X-ray View of Four High-Luminosity Swift-BAT AGN: Unveiling Obscuration and Reflection with Suzaku

Aims. A complete census of obscured Active Galactic Nuclei (AGN) is necessary to reveal the history of the super massive black hole (SMBH) growth and galaxy evolution in the Universe given the complex feedback processes and the fact that much of this growth occurs in an obscured phase. In this context, hard X-ray surveys and dedicated follow-up observations represent a unique tool for selecting highly absorbed AGN and for characterizing the obscuring matter surrounding the SMBH. Here we focus on the absorption and reflection occurring in highly luminous, quasar-like AGN, to study the relation between the geometry of the absorbing matter and the AGN nature (e.g. X-ray, optical, and radio properties), and to help to determine the column density dependency on the AGN luminosity. Methods. The Swift/BAT nine-month survey observed 153 AGN, all with ultra-hard X-ray BAT fluxes in excess of 10(exp −11) erg per square centimeter and an average redshift of 0.03. Among them, four of the most luminous BAT AGN (44.73 less than LogLBAT less than 45.31) were selected as targets of Suzaku follow-up observations: J2246.0+3941 (3C 452), J0407.4+0339 (3C 105), J0318.7+6828, and J0918.5+0425. The column density, scattered/reflected emission, the properties of the Fe K line, and a possible variability are fully analyzed. For the latter, the spectral properties from Chandra, XMM-Newton and Swift/XRT public observations were compared with the present Suzaku analysis, adding an original spectral analysis when non was available from the literature. Results. Of our sample, 3C 452 is the only certain Compton-thick AGN candidate because of i) the high absorption (N(sub H) approximately 4 × 10(exp 23) per square centimeter) and strong Compton reflection; ii) the lack of variability; iii) the "buried" nature, i.e. the low scattering fraction (less than 0.5%) and the extremely low relative [OIII] luminosity. In contrast 3C 105 is not reflection-dominated, despite the comparable column density, X-ray luminosity and radio morphology, but shows a strong long-term variability in flux and scattering fraction, consistent with the soft emission being scattered from a distant region (e.g., the narrow emission line region). The sample presents high (greater than 100) X-to- [OIII] luminosity ratios, with an extreme value of R(sup X)(sub [OIII]) approximately 800 for 3C 452, confirming the [OIII] luminosity to be affected by residual extinction in presence of mild absorption, especially for "buried" AGN such as 3C 452. Three of our targets are powerful FRII radio galaxies, which is shown by their high luminosity and absorption; this makes them the most luminous and absorbed AGN of the BAT Seyfert survey despite the inversely proportional N(sub H) - L(sub X) relation.

SwiftBAG AGN↗
NASA NTRS2015

Probabilistic Fatigue Damage Prognosis Using a Surrogate Model Trained Via 3D Finite Element Analysis

Utilizing inverse uncertainty quantification techniques, structural health monitoring can be integrated with damage progression models to form probabilistic predictions of a structure's remaining useful life. However, damage evolution in realistic structures is physically complex. Accurately representing this behavior requires high-fidelity models which are typically computationally prohibitive. In the present work, a high-fidelity finite element model is represented by a surrogate model, reducing computation times. The new approach is used with damage diagnosis data to form a probabilistic prediction of remaining useful life for a test specimen under mixed-mode conditions.

Leser, Patrick E.↗
NASA NTRSDate not supplied

Digital Assistance for System Requirement Discovery and Analysis using Machine Learning Natural Language Processing Algorithm

NASA’s Air Traffic Management-Exploration (ATM-X) Urban Air Mobility (UAM) Airspace Subproject is conducting research that evolves UAM airspace towards a highly automated and operationally flexible system of the future (see https://www.nasa.gov/uam-overview/ for more information). The complexity of UAM airspace, and its evolution through a series of transformative epochs, requires a planning tool to effectively organize, integrate, and communicate the research that will guide the evolution of UAM operations in the National Airspace System (NAS). The planning tool, called the UAM airspace research roadmap (or just roadmap), is being developed as a new system engineering methodology leveraging model based system engineering (MBSE) and machine learning natural language processing (ML NLP, or just NLP) capabilities. This presentation gives an overview of the NLP application within this system engineering methodology and will describe how it is being used to meet the ATM-X UAM Airspace Subproject’s overarching research goals.

ATM↗
NASA NTRSDate not supplied

Requirement Discovery Using Embedded Knowledge Graph with ChatGPT

- NASA’s Air Traffic Management-Exploration (ATM-X) Urban Air Mobility (UAM) Airspace Subproject is conducting research that evolves UAM airspace towards a highly automated and operationally flexible system of the future. - (see https://www.nasa.gov/uam-overview/ for more information) - The complexity of UAM airspace, and its evolution through a series of transformative epochs, requires a planning tool to effectively organize, integrate, and communicate the research that will guide the evolution of UAM operations in the National Airspace System (NAS). - The planning tool, called the UAM airspace research roadmap (or just roadmap), is being developed as a new system engineering methodology leveraging model based system engineering (MBSE) and artificial intelligence capabilities. This presentation gives an overview of the Knowledge Graph and ChatGPT applications within this system engineering methodology and will describe how it is being used to meet the ATM-X UAM Airspace Subproject’s overarching research goals.

systems engineering↗
NASA NTRS1984

The complex coronal transient of 1980 March 23

The time evolution of the coronal transient of 1980 March 23 is described, which contains as substructures a dark loop and an area of depletion similar to those seen by Fisher, Garcia, and Seagraves. The mass ejection pushes aside preexisting streamers, giving rise to the characteristic dark area with bright flanks seen in difference images of depletion transients. Time-height plots for five identifiable features in the transient event are shown; these substructures have velocities interrelated in a way approximately consistent with the hypothesis of self-similar MHD propagation. This implies that the event as a whole may be a self-similar dynamical system, and that the substructure loops are not independent units. A scenario for the event is presented, in which it is considered as a large, complex system which evolves dynamically as a whole.

Illing, R. M. E.↗
DOE OSTI2020

Imaging the Phase Evolution of the Li-N-H Hydrogen Storage System

Complex metal hydrides provide high-density hydrogen storage, which is essential for vehicular applications. However, the utility of these materials has been limited by thermodynamic and kinetic barriers present during the dehydrogenation and rehydrogenation processes as new phases form inside parent phases. Better understanding of the mixed-phase mesostructures and their interfaces may assist in improving cyclability. In this work, the evolution of the phases during hydrogenation of lithium nitride and dehydrogenation of lithium amide with lithium hydride are probed with scanning-transmission X-ray microscopy at the nitrogen K edge. With this technique, intriguing core-shell structures were observed in particles of both partially hydrogenated Li 3 N and partially dehydrogenated LiNH 2 + 2 LiH. The potential contributions of both internal hydrogen mobility and interfacial energies on the generation of these structures are discussed.

08 HYDROGEN↗
DOE OSTI2021

Porosity-Permeability Evolution During Simultaneous Mineral Dissolution and Precipitation

Permeability in reactive porous media evolves in complex ways that are hard to predict. Macroscopic empirical equations are often used to estimate permeability evolution but fail to reflect the impact of pore scale reactions on permeability. This work aims to understand the evolution of permeability in systems where mineral dissolution and precipitation occur simultaneously. Pore network models are used for permeability simulation of a Paluxy sandstone using pore and pore-throat size distributions from the analysis of X-ray CT images. Pore and pore-throat radii are increased and decreased to reflect the effects of dissolution and precipitation reactions. Varying spatial distributions of reactions are simulated and the resulting porosity and permeability values compared with commonly used macroscopic equations. It is observed that when dissolution occurs at the inlet and precipitation at the outlet, porosity increases while permeability decreases. Similar results are also observed in the respective opposite scenario where precipitation occurs at the inlet and dissolution at the outlet. When dissolution and precipitation reactions are randomly distributed throughout the network, porosity increases with little change in permeability that is not captured by the empirical equations. When reactions are controlled by pore and pore-throat sizes, such as dissolution occurring in pores and pore-throats of small size and precipitation in pores and pore-throats of larger size, porosity and permeability decrease. When precipitation occurs in pores and pore-throats of smaller size and dissolution in pores and pore-throats of larger size, porosity and permeability increase and is described relatively well by the Verma-Pruess porosity-permeability equation.

54 ENVIRONMENTAL SCIENCES↗