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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 199 records · Page 11

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DOE OSTI2024

Modeling the Low-Pressure High-Voltage Branch of the Paschen Curve for Hydrogen and Deuterium

A physical and numerical model of the Townsend discharge in molecular hydrogen and deuterium has been developed to meet the needs of designing a plasma-based switching device for power grid applications. Here, the model allows to predict the low-pressure branch of the Paschen curve for applied voltage in the range of several hundred kilovolts. In the regime of interest, electrons are in a runaway state and ionization by ions and fast neutrals sustains the discharge. It was essential to correctly account for both gas-phase and surface interactions (electron emission and electron backscattering), especially in terms of their dependence on particle energy. The model yields results consistent with prior data obtained for lower voltage. The three-species (electrons, ions, and fast neutrals) model successfully captures the essential physics of the process.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Multimetallic Metal-Organic Frameworks as Heterogeneous Catalysts for Gas Phase Hydroformylation and Hydrogenation Reactions

This project focused on the development bimetallic metal-organic frameworks (MOFs) as gas phase heterogeneous catalysts for hydrogenation and hydroformylation reactions. MOFs are a new class of hybrid inorganic/organic materials that are highly crystalline, with structures consisting of metal nodes of specific geometries connected by organic linkers. Although there have been a number of studies of catalysis at MOF nodes in solution, there is little experimental data in the literature for gas phase reactions despite the fact that industrial heterogeneous catalysis on MOFs is more economically viable than homogeneous catalysis. The use of MOFs as heterogeneous catalysts presents the unique opportunity to carefully control the composition, geometry and ensemble sizes of the active sites, which are all critical factors for the rational design of new catalysts. Specific objectives of the project are as follows: (1) to tailor the geometry, composition and ensemble size of the active sites; (2) to understand how the adsorption of molecules at metal sites can be modified by interactions with a neighboring metal site; (3) to determine how oxidation states of the metal change during reaction and how these states can be modified by metal-metal electronic interactions; and (4) to elucidate reaction mechanisms and intermediates. For these studies, we have chosen to investigate selective hydrogenation of hydrocarbons and hydroformylation, which are industrially relevant reactions. Our interdisciplinary team of Chen, Shustova and Vogiatzis/Henkelman provides critical expertise in novel MOF synthesis (Shustova), atomic-scale surface science and catalysis (Chen) and computational studies of reaction mechanisms (Vogiatzis/Henkelman) that are necessary for the development of these catalysts. We believe that this work will lead directly to the rational design of new catalysts that are versatile, highly active/selective and suitable for industrial processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Out of time order correlation of the Hubbard model with random local disorder

The out-of-time-order correlator (OTOC) serves as a powerful tool for investigating quantum information spreading and chaos in complex systems. We present a method employing non-equilibrium dynamical mean-field theory and coherent potential approximation combined with diagrammatic perturbation on the Schwinger–Keldysh contour to calculate the OTOC for correlated fermionic systems subjected to both random disorder and electron interaction. Furthermore, our key finding is that random disorder enhances the OTOC decay in the Hubbard model for the metallic phase in the weakly interacting limit. However, the current limitation of our perturbative solver restricts the applicability to weak interaction regimes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1982

Chemistry and evolution of Titan's atmosphere

The chemistry and evolution of Titan's atmosphere are reviewed, in light of the scientific findings from the Voyager mission. It is argued that the present N2 atmosphere may be Titan's initial atmosphere, rather than one photochemically derived from an original NH3 atmosphere. The escape rate of hydrogen from Titan is controlled by photochemical production from hydrocarbons. CH4 is irreversibly converted to less hydrogen-rich hydrocarbons, which over geologic time accumulate on the surface to a layer thickness of about 0.5 km. Magnetospheric electrons interacting with Titan's exosphere may dissociate enough N2 into hot, escaping N atoms to remove about 0.2 of Titan's present atmosphere over geologic time. The energy dissipation of magnetospheric electrons exceeds solar EUV energy deposition in Titan's atmosphere by an order of magnitude, and is the principal driver of nitrogen photochemistry. The environmental conditions in Titan's upper atmosphere are favorable to building up complex molecules, particularly in the north polar cap region.

Strobel, D. F.↗

DOE OSTI2024

Epitaxial Metal Electrodeposition Controlled by Graphene Layer Thickness

Control over material structure and morphology during electrodeposition is necessary for material synthesis and energy applications. One approach to guide crystallite formation is to take advantage of epitaxy on a current collector to facilitate crystallographic control. Single-layer graphene on metal foils can promote “remote epitaxy” during Cu and Zn electrodeposition, resulting in growth of metal that is crystallographically aligned to the substrate beneath graphene. However, the substrate–graphene–deposit interactions that allow for epitaxial electrodeposition are not well understood. Here, we investigate how different graphene layer thicknesses (monolayer, bilayer, trilayer, and graphite) influence the electrodeposition of Zn and Cu. Scanning transmission electron microscopy and electron backscatter diffraction are leveraged to understand metal morphology and structure, demonstrating that remote epitaxy occurs on mono- and bilayer graphene but not trilayer or thicker. Density functional theory (DFT) simulations reveal the spatial electronic interactions through thin graphene that promote remote epitaxy. This work advances our understanding of electrochemical remote epitaxy and provides strategies for improving control over electrodeposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

Evaluation of optically transparent polyetherimide films for applications in space

Several series of aromatic polyetherimide films have been synthesized and characterized with the objective of obtaining maximum optical transparency for applications in space. Incorporation of phenoxy groups into aromatic polyimides has resulted in a reduction in the color intensity of these films compared to commercial polyimide film by reducing electronic interactions between polymer chains. The resulting lightly colored to colorless polyetherimide films have been characterized by UV-visible and infrared spectroscopy before and after exposure to varying doses of UV and electron irradiation designed to simulate use as second-surface mirror thermal control coatings. After exposure to 300 equivalent solar hours UV irradiation and 1 MeV electron irradiation, the polyetherimides were 2.2 to 2.6 times more transparent than commercial polyimide film of the same thickness.

St. Clair, Anne K.↗

NASA NTRS1971

Electron pitch-angle diffusion driven by oblique whistler-mode turbulence.

A general description of cyclotron harmonic resonant pitch-angle scattering is presented. Quasi-linear diffusion coefficients are prescribed in terms of the wave normal distribution of plasma wave energy. Numerical computations are performed for the specific case of relativistic electrons interacting with a band of low frequency whistler-mode turbulence. A parametric treatment of the wave energy distribution permits normalized diffusion coefficients to be presented graphically solely as a function of the electron pitch-angle. The diffusion coefficients generally decrease with increasing cyclotron harmonic number. Higher harmonic diffusion is insignificant at very small electron pitch-angles, but becomes increasingly important as the pitch-angle increases. One thus expected the rate of pitch-angle scattering to decrease with increasing electron energy, since the resonant value of the latter varies proportionately with harmonic number. This indicates that, in mirror-type magnet field geometrics, such as the earth's radiation belts, the diffusion losses of high energy electrons are likely to be appreciably slower than those at low energy.

Lyons, L. R.↗

DOE OSTI2024

Characteristic terahertz emissions induced by optically excited collective orbital modes

Here, we study the generation of collective orbital modes, their evolution, and the characteristic nonlinear optical response induced by them in a photoinduced orbital-ordered correlated oxide using real-time simulations based on an interacting multiband tight-binding (TB) model. The d-d optical transitions under femtoseconds light-pulse in an orbital-ordered state excite collective orbital modes, also known as “orbitons”. Consistently incorporating electronic interactions and the interplay between charge, spin, and lattice degrees of freedom in the TB-model provides a clearer understanding of how these factors influence the generation and evolution of collective orbital modes. The dynamics of Jahn-Teller vibrational modes in the photoinduced state modify the intersite orbital interaction, which further amplifies these orbital modes. In the presence of weak ferroelectricity, the excitation of collective orbital modes induces a strong THz oscillatory photocurrent, which is long-lived. This suggests an alternative way to experimentally detect low-energy collective modes through THz-emission studies in the photoinduced state. Our study also elucidates that quasiparticle dynamics in improper ferroelectric oxides can be exploited to achieve highly interesting and nontrivial optoelectronic properties.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Spectral evolution of microwaves and hard X-rays in the 1989 March 18 flare and its interpretation

We analyze the time variation of microwave spectra and hard X-ray spectra of 1989 March 18, which are obtained from the Solar Array at the Owens Valley Radio Observatory (OVRO) and the Hard X-Ray Burst Spectrometer (HXRBS) on the Solar Maximum Mission (SMM), respectively. From this observation, it is noted that the hard X-ray spectra gradually soften over 50 - 200 keV on-and-after the maximum phase while the microwaves at 1 - 15 GHz show neither a change in spectral shape nor as rapid a decay as hard X-rays. This leads to decoupling of hard X-rays from the microwaves in the decay phase away from their good correlation seen in the initial rise phase. To interpret this observation, we adopt a view that microwave-emitting particles and hard X-ray particles are physically separated in an inhomogeneous magnetic loop, but linked via interactions with the Whistler waves generated during flares. From this viewpoint, it is argued that the observed decoupling of microwaves from hard X-rays may be due to the different ability of each source region to maintain high energy electrons in response to the Whistler waves passing through the entire loop. To demonstrate this possibility, we solve a Fokker-Planck equation that describes evolution of electrons interacting with the Whistler waves, taking into account the variation of Fokker-Planck coefficients with physical quantities of the background medium. The numerical Fokker-Planck solutions are then used to calculate microwave spectra and hard X-ray spectra for agreement with observations. Our model results are as follows: in a sronger field region, the energy loss by electron escape due to scattering by the waves is greatly enhanced resulting in steep particle distributions that reproduce the observed hard X-ray spectra. In a region with weaker fields and lower density, this loss term is reduced allowing high energy electrons to survive longer so that microwaves can be emitted there in excess of hard X-rays during the decay phase of the flare. Our results based on spectral fitting of a flare event are discussed in comparison with previous studies of microwaves and hard X-rays based on either temporal or spatial information.

Lee, Jeongwoo W.↗

NASA NTRS1991

Electron distribution functions in electric field environments

The amount of current carried by an electric discharge in its early stages of growth is strongly dependent on its geometrical shape. Discharges with a large number of branches, each funnelling current to a common stem, tend to carry more current than those with fewer branches. The fractal character of typical discharges was simulated using stochastic models based on solutions of the Laplace equation. Extension of these models requires the use of electron distribution functions to describe the behavior of electrons in the undisturbed medium ahead of the discharge. These electrons, interacting with the electric field, determine the propagation of branches in the discharge and the way in which further branching occurs. The first phase in the extension of the referenced models , the calculation of simple electron distribution functions in an air/electric field medium, is discussed. Two techniques are investigated: (1) the solution of the Boltzmann equation in homogeneous, steady state environments, and (2) the use of Monte Carlo simulations. Distribution functions calculated from both techniques are illustrated. Advantages and disadvantages of each technique are discussed.

Rudolph, Terence H.↗

NASA NTRS2018

Subcritical Growth of Electron Phase-Space Holes in Planetary Radiation Belts

The discovery of long-lived electrostatic coherent structures with large-amplitude electric fields (1 less than or equal to E less than or equal to 500 mV/m) by the Van Allen Probes has revealed alternative routes through which planetary radiation belts' acceleration can take place. Following previous reports showing that small phase-space holes, with q(phi)/T (exp c)(sub e) approximately minus 10 (exp -2) - 10 (exp -3), could result from electron interaction with large-amplitude whistlers, we demonstrate one possible mechanism through which holes can grow nonlinearly (i.e., Gamma alpha square root of phi) and subcritically as a result of momentum exchange between hot and cold electron populations. Our results provide an explanation for the common occurrence and fast growth of large-amplitude electron phase-space holes in the Earth's radiation belts.

Osmane, Adnane↗

NASA NTRS2019

Plasma environment effects on K lines of astrophysical interest I. Atomic structure, radiative rates, and Auger widths of oxygen ions

Aims. In the context of black-hole accretion disks, the main goal of the present study is to estimate the plasma environment effects on the atomic structure and radiative parameters associated with the K-vacancy states in ions of the oxygen isonuclear sequence. Methods. We used a time-averaged Debye–Hückel potential for both the electron–nucleus and the electron–electron interactions implemented in the fully relativistic multiconfiguration Dirac–Fock (MCDF) method. Results. Modified ionization potentials, K thresholds, Auger widths, and radiative transition wavelengths and rates are reported for O I–O VII in plasma environments with electron temperature and density ranges 10(exp 5)−10(exp 7) K and 10(exp 18)−10(exp 22)/cu.cm.

J. Deprince↗

DOE OSTI2025

Light dark matter constraints from SuperCDMS HVeV detectors operated underground with an anticoincidence event selection

This article presents constraints on dark-matter-electron interactions obtained from the first underground data-taking campaign with multiple SuperCDMS HVeV detectors operated in the same housing. An exposure of 7.63 g−days is used to set upper limits on the dark-matter-electron scattering cross section for dark matter masses between 0.5 and 1000 MeV/𝑐 2 , as well as upper limits on dark photon kinetic mixing and axionlike particle axioelectric coupling for masses between 1.2 and 23.3 eV/𝑐 2 . Compared to an earlier HVeV search, sensitivity was improved as a result of an increased overburden of 225 meters of water equivalent, an anticoincidence event selection, and better pile-up rejection. In the case of dark-matter-electron scattering via a heavy mediator, an improvement by up to a factor of 25 in cross section sensitivity was achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Recent progress in realizing novel one-dimensional polymorphs via nanotube encapsulation

Encapsulation of various materials inside nanotubes has emerged as an effective method in nanotechnology that facilitates the formation of novel one-dimensional (1D) structures and enhances their functionality. Because of the effects of geometrical confinement and electronic interactions with host nanotubes, encapsulated materials often exhibit low-dimensional polymorphic structures that differ from their bulk forms. These polymorphs exhibit unique properties, including altered electrical, optical, and magnetic behaviors, making them promising candidates for applications in electronics, energy storage, spintronics, and quantum devices. This review explores recent advancements in the encapsulation of a wide range of materials such as organic molecules, elemental substances, metal halides, metal chalcogenides, and other complex compounds. In particular, we focus on novel polymorphs formed through the geometrical confinement effect within the nanotubes. The atomic structure, other key properties, and potential applications of these encapsulated materials are discussed, highlighting the impact of nanotube encapsulation on their functionalities.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1984

The adiabatic energy change of plasma electrons and the frame dependence of the cross-shock potential at collisionless magnetosonic shock waves

The adiabatic energy gain of electrons in the stationary electric and magnetic field structure of collisionless shock waves was examined analytically in reference to conditions of the earth's bow shock. The study was performed to characterize the behavior of electrons interacting with the cross-shock potential. A normal incidence frame (NIF) was adopted in order to calculate the reversible energy change across a time stationary shock, and comparisons were made with predictions made by the de Hoffman-Teller (HT) model (1950). The electron energy gain, about 20-50 eV, is demonstrated to be consistent with a 200-500 eV potential jump in the bow shock quasi-perpendicular geometry. The electrons lose energy working against the solar wind motional electric field. The reversible energy process is close to that modeled by HT, which predicts that the motional electric field vanishes and the electron energy gain from the electric potential is equated to the ion energy loss to the potential.

Goodrich, C. C.↗

NASA NTRS2006

Science Planning for the NASA Mars Reconnaissance Orbiter Mission

The Mars Reconnaissance Orbiter (MRO), launched on August 12, 2005, carries six science instruments, each with unique requirements for repetitive global monitoring, regional or global survey mapping, and/or targeted observations of Mars. Some prefer nadir-only observations, while other instruments require many off-nadir observations (especially for stereo viewing). Because the operations requirements are often incompatible, an interactive science planning process has been developed. This process is more complex than in some recent NASA Mars missions, but less complex (and more repetitive) than processes used by many large planetary missions. It takes full advantage of MRO's novel onboard processing capabilities, and uses simple electronic interactions between geographically distributed teams. This paper describes the process used during MRO's Primary Science Phase (PSP) to plan both interactive and non-interactive observations of Mars, and what has already been learned in the tests and rehearsals preparing for PSP.

planning↗

NASA NTRS1985

Evaluation of colorless polyimide film for thermal control coating applications

A series of essentially colorless aromatic polyimide films was synthesized and characterized with the objective of obtaining maximum optical transparency for applications in space. Optical transparency is a requirement for high performance polymeric films used in second surface mirror coatings on thermal control systems. The intensity in color of aromatic polyimide films was lowered by reducing the electronic interaction between chromophoric centers in the polymer molecular structure and by using highly purified monomers. The resulting lightly colored to colorless polyimide films were characterized by UV-visible and infrared spectroscopy before and after exposure to 300 equivalent solar hours UV irradiation and varying doses of 1 MeV electron irradiation. After irradiation, the films were found to be 2 to 2.5 times more transparent than commercial polyimide film of the same thickness.

St.clair, A. K.↗

NASA NTRS1985

Evaluation of colorless polyimide film for thermal control coating applications

St. Clair, A. K.↗