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

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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Multi-Scale Physics in the Magnetosphere: The Role of Magnetic Reconnection

The question of whether the microscale controls the macroscale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collision less magnetic reconnection, where both pOints of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the properties of electron diffusion region dynamics both for guide field and anti-parallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.

Hesse, Michael↗
NASA NTRS2004

Southeast Ecological Observatory Network (SEEON) Workshop on Ecological Sensors and Information Technology. Report on Second SEEON Workshop

A fundamental goal of the new National Science Foundation (NSF) initiative National Ecological Observatory Network (NEON) is to provide timely and broad access to the ecological data collected at NEON sites. Information management and data collection will be critical components to achieving this goal and a successful NEON implementation. The Southeast Ecological Observatory Network (SEEON) working group recognized the importance of information management and sensor technology in its first planning workshop and recommended that interested parties in the region come together to discuss these subjects in the context of the needs and capabilities of a southeast regional ecological observatory network. In February 2004, 28 participants from 14 organizations including academic institutions, state and federal agencies, private and non-profit entities convened at the Space Life Sciences Laboratory (SLSL) at the Kennedy Space Center, Florida for two days of presentations and discussions on ecological sensors and information management. Some of the participants were previously involved in the first SEEON workshop or other meetings concerned with NEON, but many were somewhat new to the NEON community. Each day focused on a different technical component, i.e. ecological sensors the first day and cyber-infrastructure the second day, and were structured in a similar manner. The mornings were devoted to presentations by experts to help stimulate discussions on aspects of the focal topic held in the afternoon. The formal and informal discussions held during the workshop succeeded in validating some concerns and needs identified in the first SEEON workshop, but also served to bring to light other questions or issues that will need to be addressed as the NEON planning and design stages move forward. While the expansion of the SEEON community meant that some of the presentation and discussion time was needed to help bring the newcomers up to speed on the goals, objectives and current status of the various NEON efforts, the additional perspectives and technical expertise included in this workshop helped fuel some valuable interdisciplinary discussions that will need to continue to bring SEEON and NEON to fruition. Participants agreed that continued discussions of SEEON are needed , to keep up the momentum and that the southeast region must continue to be represented at the national level. It is vital that the all'the regions continue to push things forward for NEON to succeed.

Jones, Lori N.↗
NASA NTRSDate not supplied

Using Open Innovation in Reducing Risk to Crews

In the exploration of destinations outside of Earth's neighborhood, specifically Mars, scientific and engineering inquiries have occurred by two means; observations from satellites and observations by landed spacecraft. Satellite observations (Mariner, MRO, Mars Odyssey, provide global-scale spatial and temporal data while landed spacecraft (Viking, Mars Pathfinder, Spirit, Opportunity, Phoenix Mars Lander) investigate highly localized areas of the surface of the planet. In preparation for human exploration, extensive knowledge of the surface and atmospheric environments should be known before the first human leaves Earth. The primary goal of performing reconnaissance on Mars on a sub-global scale is to know as much as possible about the environment to which crews will be subjected. At the current rate of launching and landing probes to Mars, it will take a very long time to understand the surface and atmospheric conditions associated with the regions where prospective crews may land. Meanwhile electronics and electrical systems are rapidly getting smaller. One can argue that to acquire the knowledge of the region, one must take hundreds, maybe thousands of measurements simultaneously. One means to perform such a task is to deploy a swarm of sensors. Such a swarm would perform an in-situ assessment of the region. Imagine a close flyby mission to Mars for example, where mini- to micro-sensors are deposited into the atmosphere over half an orbit or more. The sensors, captured by the atmospheric drag and Martian gravity slowly descend buffeted about by Martian winds and weather until they settle on the surface a great time later (think of how long dust takes to settle). As they descend they communicate a vast array of data; temperature, chemistry, pressure, radiation dose, electric or magnetic properties from a region of the planet and an individual sensor need not measure the same quantity as its neighbors. Initially, they could move at the whim of the environment but later versions could have locomotion or propulsion mechanisms. Humans wouldn't need to decide where the sensors go, the sensors do that for themselves. This is a key strength of a sensor swarm. The intelligence relies on the group not on a decision maker on earth. Real time sensor inputs direct what the swarm considers most interesting to investigate resulting in emergent behavior. We issued a $20,000 challenge to the global innovators to provide solutions as to how such a swarm could be initialized and by what protocols and methodologies by which they operate. Over 400 innovators from 49 countries took a look at the problem, with three receiving partial awards for solutions.

Mel Ferebee↗
NASA NTRS2023

Crew Earth Observations: New Tools to Support Your Research

The collection of astronaut photography hosted on the Gateway to Astronaut Photography of Earth (GAPE, eol.jsc.nasa.gov) forms one of the most extensive historical compilations of Earth remote sensing data sets available to researchers and the public. The GAPE database contains astronaut photography spanning all manned NASA spaceflight missions over the past 60 years and continuing to this day with operations on the International Space Station (ISS). The continuous crew presence in low Earth orbit (LEO) on the ISS for the last 22+ years and the advent of digital handheld cameras has resulted in an exponential increase in astronaut photography, growing the GAPE collection to over 4.5M photographs (Figs. 1 and 2). This increase in astronaut photography of Earth has corresponded to a significant increase in interest in the collection by the research community and the public. The Earth Science and Remote Sensing (ESRS) group at Johnson Space Center, which manages Crew Earth Observations (CEO) from the ISS, has been developing multiple new tools to improve the GAPE database so that users can more quickly find the imagery they need. The three major enhancements to GAPE are: a new API to interface with the database, a method for automatically georeferencing ISS photos (Fig. 3), and a new tool for automatically generating timelapse movies.

Kenton R Fisher↗
NASA NTRS1986

Earth's early atmosphere as seen from carbon and nitrogen isotopic analysis of Archean sediments

The origin and evolution of the Earth's early atmosphere has long been a topic of great interest but determination of actual compositions over geologic time is a difficult problem. However, recent systematic studies of stromatolite deposits (Precambrian Paleobiology Research Group) has extended our knowledge of Archean ecosystems. It has been shown that many stromatolite deposits have undergone negligible alteration since their time of formation. The discovery of primary fluid inclusions within unaltered 3.5 b.y. old Archiean sediments and the observation that the 3.3 b.y. old Barberton cherts have remained closed to argon loss and have not been subjected to thermal metamorphism suggests that an opportunity exists for the direct measurement of the volatile constituents present at their time of formation. Of primary interest to this study was the possibility that the stromatolites and other Archean sediments might retain a vestige of the atmosphere and thus afford an indication of the variations in carbon dioxide and nitrogen isotopic compositions with time. A suite of essentially unaltered Archean stromatolites and the cherts of different ages and geologic sites have been analyzed for their trapped carbon dioxide and nitrogen compositions by the stepped combustion extraction tech nique utilizing static mass spectrometers for the isotope measurements.

Gibson, E. K., Jr.↗
NASA NTRS1991

Ocean circulation using altimetry

Our group has been very actively involved in promoting satellite altimetry as a unique tool for observing ocean circulation and its variability. TOPEX/POSEIDON is particularly interesting as it is optimized for this purpose. It will probably be the first instrument really capable of observing the seasonal and interannual variability of subtropical and polar gyres and the first to eventually document the corresponding variability of their heat flux transport. The studies of these phenomena require data of the best quality, unbiased extraction of the signal, mixing of these satellite data with in situ measurements, and assimilation of the whole set into a dynamic description of ocean circulation. Our group intends to develop responses to all these requirements. We will concentrate mostly on the circulation of the South Atlantic and Indian Oceans: This will be done in close connection with other groups involved in the study of circulation of the tropical Atlantic Ocean, in the altimetry measurements (in particular, those of the tidal issue), and in the techniques of data assimilation in ocean circulation models.

Minster, Jean-Francois↗
DOE OSTI2026

Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic Hexagons

Modified behaviors of molecules, designed for device or energy applications, can occur due to lattice-molecule incompatibilities in point-group symmetries (PGS), long-range interactions between neighboring molecules, or latticemolecule charge transfer. Such sensitivities are prerequisite for the use of quantum molecules as devices, but removing certain broken symmetries is desirable from the standpoint of simplifying their behaviors. Here, we demonstrate symmetry restoration to molecular-magnetic lattices and show that it leads to strengthened exchange-coupling due to dipolar electrostatic interactions between neighboring molecules and due to manifestations of an earlier identification of a spin-sensitive slightly mobile electron by Hooshmand et al. Starting with a broken symmetry molecular magnet of current interest, we demonstrate a more robust structure composed of six molecular magnets on a h-BN-like surface. The broken point-group symmetry is healed by constructing interpenetrating equilateral triangular structures that are appropriately ratcheted to preserve three-fold rotational symmetry and inversion symmetry.

Pederson, Mark R.↗
DOE OSTI2024

Influence of Linker Group on Bipolar Redox-Active Molecule Performance in Non-Aqueous Redox Flow Batteries

Redox flow batteries (RFBs) are an attractive choice for stationary energy storage of renewables such as solar and wind. Non-aqueous redox flow batteries (NARFBs) have garnered broad interest due to their high voltage operation compared to their aqueous counterparts. Further, the utilization of bipolar redox-active molecules (BRMs) is a practical way to alleviate crossover faced by asymmetric RFBs. In this work, ferrocene (Fc) and phthalimide (PI) are covalently linked with various tethering groups which vary in structure and length. The compiled results suggest that the length and steric shielding ability of the linker group can greatly influence the stability and overall performance of Fc-n-PI BRM-based NARFBs. Primary sources of capacity loss are found to be BRM degradation for straight chain spacers <6 carbons and membrane (Nafion) fouling. Fc-hexyl-PI provided the most stable battery cycling and coulombic efficiencies of >98 % over 100 cycles (~13 days). NARFB using Fc-hexyl-PI as an active material exhibited high working voltage (1.93 V) and maximum capacity (1.28 Ah L -1 ). Additionally, this work highlights rational strategies to improve cycling stability and optimize NARFB performance.

25 ENERGY STORAGE↗
DOE OSTI2020

Strong spin–orbit quenching via the product Jahn–Teller effect in neutral group IV qubits in diamond

Abstract Artificial atom qubits in diamond have emerged as leading candidates for a range of solid-state quantum systems, from quantum sensors to repeater nodes in memory-enhanced quantum communication. Inversion-symmetric group IV vacancy centers, comprised of Si, Ge, Sn, and Pb dopants, hold particular promise as their neutrally charged electronic configuration results in a ground-state spin triplet, enabling long spin coherence above cryogenic temperatures. However, despite the tremendous interest in these defects, a theoretical understanding of the electronic and spin structure of these centers remains elusive. In this context, we predict the ground-state and excited-state properties of the neutral group IV color centers from first principles. We capture the product Jahn–Teller effect found in the excited state manifold to second order in electron–phonon coupling, and present a nonperturbative treatment of the effect of spin–orbit coupling. Importantly, we find that spin–orbit splitting is strongly quenched due to the dominant Jahn–Teller effect, with the lowest optically-active 3 E u state weakly split into m s -resolved states. The predicted complex vibronic spectra of the neutral group IV color centers are essential for their experimental identification and have key implications for use of these systems in quantum information science.

Materials Science↗
DOE OSTI2018

Surface Science Studies of Nano-crystalline Metal Oxide and Metal-Metal Oxide Core-Shell Catalysts

In this project we are bridging the materials gap between fundamental surface science studies of metal-oxide, single-crystal model catalysts, and high surface catalysts that are used industrially by measuring structure-activity relationships for thin films of well-defined, metal oxide nanoparticles. We are concentrating on systems that are of interest for use as catalysts for complete-, selective- and photo-oxidation of organic oxygenates and the research program builds upon our group’s extensive experience in using surface-sensitive spectroscopic techniques to elucidate structure-activity relationships for oxide surfaces. The goals of this work are (1) determine the role that highly undercoordinated edge and corner sites play in catalysis on oxides, (2) determine if control of oxide nano-crystalline size and shape can be used to design highly active and selective catalysts for specific reactions, and (3) determine how crystallite size and shape affect the photocatalytic properties of semiconducting oxides such as TiO 2 . In addition to our current studies of nanocrystalline oxides, the research program will also include studies of hierarchal structured core-shell materials in which a metal nanoparticle is encased in a porous nano-crystalline oxide shell. Such materials have interesting catalytic properties and our goal will be to use these unique model systems to study synergistic interactions between a metal and a reducible metal oxide support. The work during the second year of the grant has focused on the catalytic and photocatalytic activity of thin films of well-defined TiO 2 nanocrystals that have a truncated bi-pyramidal shape. An overview of this work is given below.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2011

Status and Value of International Standards for Nuclear Criticality Safety

This presentation provides an update to the author's standards report provided at the ICNC-2007 meeting. It includes a discussion about the difference between, and the value of participating in, the development of international 'consensus' standards as opposed to nonconsensus standards. Standards are developed for a myriad of reasons. Generally, standards represent an agreed upon, repeatable way of doing something as defined by an individual or group of people. They come in various types. Examples include personal, family, business, industrial, commercial, and regulatory such as military, community, state, federal, and international standards. Typically, national and international 'consensus' standards are developed by individuals and organizations of diverse backgrounds representing the subject matter users and developers of a service or product and other interested parties or organizations. Within the International Organization for Standardization (ISO), Technical Committee 85 (TC85) on nuclear energy, Subcommittee 5 (SC5) on nuclear fuel technology, there is a Working Group 8 (WG8) on standardization of calculations, procedures, and practices related to criticality safety. WG8 has developed, and is developing, ISO standards within the category of nuclear criticality safety of fissionable materials outside of reactors (i.e., nonreactor fissionable material nuclear fuel cycle facilities). Since the presentation of the ICNC-2007 report, WG8 has issued three new finalized international standards and is developing two more new standards. Nearly all elements of the published WG8 ISO standards have been incorporated into IAEA nonconsensus guides and standards. The progression of consensus standards development among international partners in a collegial environment establishes a synergy of different concepts that broadens the perspectives of the members. This breadth of perspectives benefits the working group members in their considerations of consensus standards developments in their own countries. A testament to the value of the international standards efforts is that nearly all elements of the published WG8 ISO standards have been incorporated into IAEA nonconsensus guides and standards and are mainly consistent with international ISO member domestic standards.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

A Z{sub 3} generalization of Pauli's principle, quark algebra and the Lorentz invariance

The fundamental difference between bosons and fermions is that they obey two alternative representations of the Z{sub 2} group, resulting in symmetric or anti-symmetric binary commutation relations. Our aim is to explore possibilities offered by ternary Z{sub 3} generalization commutation relations. This leads to cubic and ternary algebras which are a direct generalization of usual commutation relations, with Z{sub 3}-grading replacing the usual Z{sub 2}-grading. Properties and structure of such algebras are discussed, with special interest in a low-dimensional one, with two generators. Invariant cubic forms on such algebras are introduced, and it is shown how the SL(2,C) group arises naturally as the symmetry group preserving these forms. In the case of lowest dimension, with only two generators, it is shown how the cubic combinations of elements of the same Z{sub 3} grade behave like Lorentz spinors, while binary products of elements of this algebra with an element of the conjugate algebra behave like Lorentz vectors. The wave equation generalizing the Dirac operator to the Z{sub 3}-graded case is introduced, whose diagonalization leads to a third-order equation. The solutions of this equation cannot propagate because their exponents always contain non-oscillating real damping factor. We show how certain cubic products can propagate nevertheless. The model suggests the origin of the color SU(3) symmetry obeyed by quark states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Structural and functional features of lysine acetylation of plant and animal tubulins

Abstract The study of the genome and the proteome of different species and representatives of distinct kingdoms, especially detection of proteome via wide‐scaled analyses has various challenges and pitfalls. Attempts to combine all available information together and isolate some common features for determination of the pathway and their mechanism of action generally have a highly complicated nature. However, microtubule (MT) monomers are highly conserved protein structures, and microtubules are structurally conserved from Homo sapiens to Arabidopsis thaliana . The interaction of MT elements with microtubule‐associated proteins and post‐translational modifiers is fully dependent on protein interfaces, and almost all MT modifications are well described except acetylation. Crystallography and interactome data using different approaches were combined to identify conserved proteins important in acetylation of microtubules. Application of computational methods and comparative analysis of binding modes generated a robust predictive model of acetylation of the ϵ‐amino group of Lys40 in α‐tubulins. In turn, the model discarded some probable mechanisms of interaction between elements of interest. Reconstruction of unresolved protein structures was carried out with modeling by homology to the existing crystal structure (PDBID: 1Z2B) from B. taurus using Swiss‐model server, followed by a molecular dynamics simulation. Docking of the human tubulin fragment with Lys40 into the active site of α‐tubulin acetyltransferase, reproduces the binding mode of peptidomimetic from X‐ray structure (PDBID: 4PK3).

Rayevsky, Alexey V.↗
DOE OSTI2019

Phase transition in two-dimensional tellurene under mechanical strain modulation

Here, we carry out computational simulations based on density functional theory (DFT) to investigate different phases of two-dimensional (2-D) tellurene. These phases are classified by their characteristic space groups and symmetry elements. Correlations of these phases to the bulk crystalline tellurium structure are also illustrated. Our specific interests include mechanical property calculations for different phases and the possible phase transitions between them. Simulation results show that these 2-D Te phases have very different elastic moduli due to their different atomic bonding and relaxed structures. Moreover, compression along the in-plane directions facilitates the α → β phase transition, while in-plane tensile strains always make the α-phase more stable than the β-phase. However, the energy difference between the two phases is comparable to or even much smaller than the thermal energy kT, depending on the in-plane strain direction. We find that further increase of the tensile strain along the chain direction beyond a critical value, ca. 12%, may lead to a possible α → γ phase transition. As the tensile strain is above 15%, the γ-phase will be more stable than the α-phase, accompanied by a further reduced transition energy barrier.

2-D materials↗
DOE OSTI2021

Effects of Superparamagnetic Iron Nanoparticles on Electrocatalysts for the Reduction of Oxygen

It is of great research interest to understand the nanostructures contributing to the activity observed in the reduction of oxygen by non-platinum group metal (PGM) electrocatalysts in acidic media. Iron- and nitrogen-containing carbon networks are often the most studied structures, among which single-atom iron-coordinated nitrogen (FeNx) moieties have often been proposed to be the structures leading to the high activity in these non-PGM electrocatalysts. Iron nanoparticles embedded within a carbon support are also formed under certain conditions as a result of the synthetic processes in making non-PGM electrocatalysts. In this study, we present a study to understand the oxygen reduction reaction (ORR) activity of prepared iron- and nitrogen-containing non-PGM electrocatalysts obtained through the pyrolysis of metal–organic framework (MOF) precursors. We studied the structure–property relationship among nanostructures made from the MOF precursor ZIF-8 under different pyrolysis conditions. Density functional theory calculations were used to explain the effect of structural moieties on the ORR activity. Our results suggest that iron-coordinated C–N structures and iron nanoparticles act synergistically to catalyze the ORR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Defect-Enabled Phase Programming of Transition Metal Dichalcogenide Monolayers

The ability to tune the local electronic transport properties of group VI transition metal dichalcogenide (TMD) monolayers by strain-induced structural phase transformations (“phase programming”) has stimulated much interest in the potential applications of such layers as ultrathin programmable and dynamically switchable nanoelectronics components. In this manuscript, we propose a new approach toward controlling TMD monolayer phases by employing macroscopic in-plane strains to amplify heterogeneous strains arising from tailored, spatially extended defects within the monolayer. Furthermore, the efficacy of our proposed approach is demonstrated via numerical simulations of emerging domains localized around arrays of holes, grain boundaries, and compositional heterointerfaces. Quantitative relations between the macroscopic strains required, spatial resolution of domain patterns, and defect configurations are developed. In particular, the introduction of arrays of holes is identified as the most feasible phase programming route.

2D materials↗
DOE OSTI2016

Compositional dependence of the band-gap of Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys

The group-IV semiconductor alloy Ge{sub 1−x−y}Si{sub x}Sn{sub y} has recently attracted great interest due to its prospective potential for use in optoelectronics, electronics, and photovoltaics. Here, we investigate molecular beam epitaxy grown Ge{sub 1−x−y}Si{sub x}Sn{sub y} alloys lattice-matched to Ge with large Si and Sn concentrations of up to 42% and 10%, respectively. The samples were characterized in detail by Rutherford backscattering/channeling spectroscopy for composition and crystal quality, x-ray diffraction for strain determination, and photoluminescence spectroscopy for the assessment of band-gap energies. Moreover, the experimentally extracted material parameters were used to determine the SiSn bowing and to make predictions about the optical transition energy.

36 MATERIALS SCIENCE↗