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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Femtosecond Pulse Characterization as Applied to One-Dimensional Photonic Band Edge Structures

The ability to control the group velocity and phase of an optical pulse is important to many current active areas of research. Electronically addressable one-dimensional photonic crystals are an attractive candidate to achieve this control. This report details work done toward the characterization of photonic crystals and improvement of the characterization technique. As part of the work, the spectral dependence of the group delay imparted by a GaAs/AlAs photonic crystal was characterized. Also, a first generation an electrically addressable photonic crystal was tested for the ability to electronically control the group delay. The measurement technique, using 100 femtosecond continuum pulses was improved to yield high spectral resolution (1.7 nanometers) and concurrently with high temporal resolution (tens of femtoseconds). Conclusions and recommendations based upon the work done are also presented.

Fork, Richard L.↗
NASA NTRS1997

Electronic Structure of TlBa2CaCu2O(7-Delta)

The core levels of TlBa2CaCu2O(7-delta) (Tl-1212) epitaxial films have been measured with X-ray photoelectron spectroscopy (XPS). The valence electronic structure has been determined using the full-potential linear muffin-tin-orbital band-structure method and measured with XPS. The calculations show that a van Hove singularity (VHS) lies above the Fermi level (E(sub F)) for the stoichiometric compound (delta = 0.5), while for 50% oxygen vacancies in the Tl-O layer (delta = 0.5) E(sub F) is in close proximity to the VHS. Samples annealed in nitrogen (to reduce the hole overdoping by the removal of oxygen) exhibit higher core-level binding energies and a higher T(sub c), consistent with a shift of E(sub F) closer to the VHS. Comparisons are made to the core levels and valence bands of Tl2Ba2CaCu2O(8 + delta)(Tl-2212) and HgBa2CaCu2O)6 + delta) (Hg- 1212). The similarity of the Cu 2p(sub 3/2) spectra for Tl-1212 and Tl-2212 indicates that the number of Tl-O layers has little effect on the Cu-O bonding. However, the Tl-1212 and Hg-1212 Cu 2p(sub 3/2) signals exhibit differences which suggest that the replacement of T(sup 3+) with Hg(sup 2+) results in a decrease in the O 2p right arrow Cu 3d charge-transfer energy and differences in the probabilities of planar vs apical oxygen charge transfer and/or Zhang-Rice singlet-state formation. Differences between the Tl-1212 and the Tl-2212 and Hg-1212 measured valence bands are consistent with the calculated Cu 3d and (Tl,Hg) 6s/5d partial densities of states.

Vasquez, R. P.↗
NASA NTRS2006

Computational Spectroscopy of Polycyclic Aromatic Hydrocarbons In Support of Laboratory Astrophysics

Polycyclic aromatic hydrocarbons (PAHs) are strong candidates for the molecular carriers of the unidentified infrared bands (UIR) and the diffuse interstellar bands (DIBs). In order to test the PAH hypothesis, we have systematically measured the vibronic spectra of a number of jet-cooled neutral and ionized PAHs in the near ultraviolet (UV) to visible spectral ranges using the cavity ring-down spectroscopy. To support this experimental effort, we have carried out theoretical studies of the spectra obtained in our measurements. Ab initio and (time-dependent) density.functiona1 theory calculations are performed to obtain the geometries, energetics, vibrational frequencies, transition dipole moments, and normal coordinates of these PAH molecules. Franck-Condon (FC) calculations and/or vibronic calculations are then performed using the calculated normal coordinates and vibrational frequencies to simulate the vibronic spectra. It is found that vibronic interactions in these conjugated pi electron systems are often strong enough to cause significant deviations from the Born-Oppenheimer (BO) approximation. For vibronic transitions that are well described by the BO approximation, the vibronic band profiles are simulated by calculating the rotational structure of the vibronic transitions. Vibronic oscillator strength factors are calculated in the frame of the FC approximation from the electronic transition dipole moments and the FC factors. This computational effort together with our experimental measurements provides, for the first time, powerful tools for comparison with space-based data and, hence, a powerful approach to understand the spectroscopy of interstellar PAH analogs and the nature of the UIR and DIBs.

Tan, Xiaofeng↗
NASA NTRS1998

Substrate Effects on Electronic Properties of Atomic Chains

Atomic chains, precise structures of adatoms created on an atomically regulated surface, are candidates for constituent elements in future electronics. It was predicted that Si chains were metallic and Mg chains were semiconducting, and a doping method was also discussed. The substrate was assumed to work as a non-interacting template holding the adatoms. However, this scheme requires a low-temperature environment so that the adatoms will not displace from their ideal positions due to unwanted thermal agitation. For better structural stability, we may seek a scheme to allow the adatoms to form chemical bonding with the substrate atoms and secure their positions. The chemical bonding has two major effects on the chain electronic properties. First, only the remaining s and p orbitals in an adatom not used for the chemical bonding can decide chain band structures, rather than the full set of orbitals previously assumed. Second, because of a possible HOMO energy difference between adatom and substrate atom, semiconducting chains are unintentionally doped. These effects are studied with a self-consistent tight-binding method with universal parameters. With one adatom per unit cell, adatom chains are semiconducting: (1) if adatoms are of group III and form one chemical bond per adatom, or (2) if adatoms are of group IV and form two chemical bonds. 'Me previous result [I I of realizing semiconducting chains by group II adatoms without chemical bonds is consistent with this picture. When the HOMO energy in an adatom is shallower than that in a substrate atom, the entire chain is positively polarized, unintentionally achieving p-type doping. When deeper, the chain is negatively charged, achieving n-type doping.

Yamada, Toshishige↗
NASA NTRS1976

Cyclotron side-band emissions from ring-current electrons

The paper examines temporal variations in electron energy spectra and pitch-angle distributions during a VLF-emission event observed by Explorer 45 in the main phase of a magnetic storm. It is noted that the observed event occurred outside the plasmasphere on the night side of the magnetosphere and that the dusk-side plasmapause had a double structure during the event. It is found that the VLF emissions consisted of two frequency bands, corresponding to the whistler and electrostatic modes, and that there was a sharp band of 'missing emissions' along frequencies equal to half the equatorial electron gyrofrequency. A peculiar pitch-angle distribution for high-energy electrons (50 to 350 keV) is noted. It is concluded that the VLF-producing particles were enhanced low-energy (about 5 keV) ring-current electrons which penetrated into the night side of the magnetosphere from the magnetotail plasma sheet and which drifted eastward after encountering the steep gradient of the geomagnetic field.

Maeda, K.↗
NASA NTRS1975

Surface structure and electronic properties of materials

A surface potential model is developed to explain dopant effects on chemical vapor deposition. Auger analysis of the interaction between allotropic forms of carbon and silicon films has shown Si-C formation for all forms by glassy carbon. LEED intensity measurements have been used to determine the mean square displacement of surface atoms of silicon single crystals, and electron loss spectroscopy has shown the effect of structure and impurities on surface states located within the band gap. A thin film of Al has been used to enhance film crystallinity at low temperature.

Siekhaus, W. J.↗
NASA NTRSDate not supplied

Mixed-Domain Charge Transport in S-Se Alloys as a Li-S Battery Cathode Material

Lithium-sulfur batteries are emerging candidate systems for the next-generation long-range electric aircraft application owing to their potential to deliver high energy density per weight. Their cathodes are to be made primarily with sulfur, but sulfur by itself has much too low electron conductivity to serve as a useful cathode. An idea that has been suggested to overcome this bottleneck is to alloy sulfur with selenium in the hope that electron mobility, which is thought to improve charge transport at some expense of increased weight and reduced energy density. However, understanding of these alloy structures and their transport mechanism is insufficient, and electron mobility at varying degrees of selenium content is not well charted, which are critical for determining the optimum selenium content and testing whether this strategy is generally feasible. The difficulty of computationally characterizing these alloy systems is rooted in the structure. The structures of both sulfur and selenium exhibit eight-atom rings that pack together in various orientations to form their respective crystals. For one, because these crystals (and presumably their alloys as well) feature multiple polymorphs such that their structural coherence is rather unclear. Secondly, these are also relatively large systems (32 atoms per cell) with low-symmetry, which complicate computation both in terms of accuracy and efficiency. Thirdly, such semi-molecular, semi-crystalline structures lead to a combination of band-transport characteristics and hopping-transport characteristics, each of which is a domain with its own physics and set of computational, theoretical challenges. In addition, there is a general dearth of experimental transport data for sulfur-selenium alloys. In this study, we make a comprehensive attempt to tackle this problem using a wide array of first-principles methods. We generate special quasirandom structures to simulate alloy structures, and compute their first-principles Raman spectra for comparison with experimental data to ensure their structural soundness. We then proceed to use recently developed, state-of-the-art tool (AMSET) in order to efficiently compute electronic mobilities under band transport of pure sulfur, pure selenium, as well as their alloys of various compositions at a reasonable accuracy. We then sample numerous dimer configurations of nearest-neighbor eight-atom-ring-pairs and compute electronic hopping rates between them, which yields hopping mobility. A combination of these efforts lead to a general mapping of electron transport behaviors throughout the alloy range. Preliminary results show that introduction of selenium into sulfur initially damages electron mobility due to disorder but eventually improves it beyond that of pure sulfur with additional selenium content, ultimately peaking at the pure-selenium limit. Band transport dominates for holes in sulfur and electrons in selenium, but in all other cases, hopping transport is dominant. Ongoing efforts include determination of charge concentration and conductivity, as well as performing multiphysics modeling to determine the optimum selenium content for best tradeoff between conductivity and energy density for aircraft range.

Junsoo Park↗
NASA NTRS2008

Photocatalytic Coatings for Exploration and Spaceport Design

This project developed self-cleaning photocatalytic coatings that remove contamination without human intervention. The coatings chemically remove organic contaminants and leave no residue. The photocatalyst will not negatively affect other coating properties, especially corrosion resistance. Titanium dioxide, TiO2, is an extremely popular photocatalyst because of its chemical stability, nontoxicity, and low cost. TiO2 is commonly used in the photocatalytic oxidation of organic matter or pollutants in the gas and liquid phases. However, TiO2 does have some drawbacks. It has limited light absorption because of its large band-gap and suffers from a photonic efficiency of less than 10 percent for organic degradation. Dopants can lower the band-gap and improve efficiency. Since the photocatalytically active form of TiO2 is a nanocrystalline powder, it can be difficult to make a robust coating with enough catalyst loading to be effective. Photocatalysts become active when certain light energy is absorbed. When photons with an energy greater than the band-gap, Eg, (wavelengths shorter than 400 nm) impinge upon the surface of the TiO2, an electron-hole pair is formed. The electron-hole pair oxidizes adsorbed substances either directly or via reactive intermediates that form on the surface, such as hydroxyl radicals (OH) or superoxide ions (O2-). Several factors can influence the band-gap energy of TiO2, two of which are crystal structure and impurities. TiO2 exists as three crystal structures brookite, anatase, and rutile that can be controlled via heat treatment. Anatase is the most photocatalytically active crystal form of TiO2. Doping TiO2 with impurities can alter its band-gap energy, as well as its effectiveness as a catalyst. Depending on their size, dopant atoms can occupy either the substitutional or interstitial lattice positions. Atoms that are relatively large will assume the interstitial positions and create a much greater energy disturbance in the crystal than will smaller atoms that take on the substitutional positions. This energy disturbance narrows the band-gap and thus allows photons with longer wavelengths and smaller energies (such as those in the visible-light spectrum) to create electron-hole pairs. Raman spectroscopy was performed for the purpose of determining the crystal structure and the degree of crystallinity of the TiO2 particles. Reflectance measurements indicated the wavelengths of light absorbed by the different catalysts.

Source record↗
NASA NTRS1981

Effect of electronic structure of the diamond surface on the strength of the diamond-metal interface

A diamond surface undergoes a transformation in its electronic structure by a vacuum anneal at approximately 900 C. The polished surface has no electronic states in the band gap, whereas the annealed surface has both occupied and unoccupied states in the and gap and exhibits some electrical conductivity. The effect of this transformation on the strength of the diamond metal interface was investigated by measuring the static friction force of an atomically clean meta sphere on a diamond flat in ultrahigh vacuum. It was found that low friction (weak bonding) is associated with the diamond surface devoid of gap states whereas high friction (strong bonding) is associated with the diamond surface with gap states. Exposure of the annealed surface to excited hydrogen also leads to weak bonding. The interfacial bond is discussed in terms of interaction of the metal conduction band electrons with the band gap states on the diamond surface. Effects of surface electrical conductivity on the interfacial bond are also be considered.

Pepper, S. V.↗
NASA NTRS1999

Global Dynamics of Dayside Auroral Precipitation in Conjunction with Solar Wind Pressure Pulses

Global observation of the dayside auroral region by the Ultraviolet Imager (UVI) during transient solar wind pressure pulse events on October 1, 1997 has revealed unusual features in the auroral precipitation. The auroral arc structure on the dayside, possibly connected with the LLBL, split into 2 arc structures; one moving poleward and fading over a 5 min period, and the other stationary or slightly shifted equatorward (by changes in the x component). The y component was large and positive, and the z component was small and negative. The splitting of the arc structure extended from 9 to 15 MLT and was concurrent with an enhancement of the convection in the cusp region identified by SuperDARN observations. The convection reversal on the morningside was adjacent to and poleward of the weak lower latitude band of precipitation. The sensitivity of the UVI instrument enabled observation of arc structures down to about 0.2 erg electron energy flux, as confirmed by comparison with particle measurements from the FAST satellite for other dayside events. Removal of the spacecraft wobble by PIXON image reconstruction restored the original resolution of the UVI of about 40 km from apogee. This event is being analyzed in connection with a larger study of global dynamics of dayside energy and momentum transfer related to changes in IMF conditions using UVI images in conjunction with observations from FAST and SuperDARN.

Brittnacher, M.↗
NASA NTRS2003

Vertical Electron Transport through PbS-EuS Structures

Temperature dependence of current-voltage I-V characteristics and resistivity is studied in ferromagnetic PbS-EuS semiconductor tunnel structures grown on n-PbS (100) substrates. For the structures with a single (2-4 nm thick) ferromagnetic EuS electron barrier we observe strongly non-linear I-V characteristics with an effective tunneling barrier height of 0.3-0.7 eV. The experimentally observed non-monotonic temperature dependence of the (normal to the plane of the structure) electrical resistance of these structures is discussed in terms of the electron tunneling mechanism taking into account the temperature dependent shift of the band offsets at the EuS-PbS heterointerface as well as the exchange splitting of the electronic states at the bottom of the conduction band of EuS.

Wrotek, S.↗
NASA NTRS1984

Studies of extreme-ultraviolet emission from Rydberg series of H2 by electron impact

Calibrated laboratory measurements of H2 bands in the 70-170-nm region using crossed neutral and electron beams have allowed the estimation of the cross sections for H2 bands which account for virtually all of the H2 EUV band emission. It is found, in general, that the internal population structure of the directly excited EUV band systems, B-X, B'-X, C-X, D-X, and D'-X, is modeled accurately by theoretical collision strengths. Moreover, the analysis of the measurements indicates that the same constant factor at a given electron energy at or above 100 eV, relates the theoretical oscillator strengths of the systems to the cross sections to within about 15 percent. The higher-Rydberg series band systems measured have been found to be a significant factor in the analysis of EUV planetary spectra. The prominence of the E,F-B contribution at low electron impact energies is also of astrophysical importance and further work is recommended to better define the excitation parameters of the E,F system.

Ajello, J. M.↗
NASA NTRS1998

An Inflatable L-Band Microstrip SAR Array

Inflatable structures have been identified as one of the enabling technologies to achieve low mass, high packaging efficiency, and reliable deployment for future NASA spaceborne synthetic aperture radar (SAR) array antennas. A current L-band SAR antenna development, with aperture size of 10 m x 3 m, is required to have the capabilities of dual-linear polarization, 80-MHz bandwidth, electronic beam scanning, and less than 100 kg of mass. An inflatable concept, which employs the inflatable tubular frame structure to support a multilayer, thin membrane, microstrip array radiating aperture, has been identified. It uses a "roll-up" concept, for deploying the thin membranes to form a planar array aperture. To demonstrate this concept, two contracts were independently given to ILC Dover, Inc. and L'Garde Corp. for each to construct a 1/3 size (3.3 m x 1.0 m) functional model with an inflatable structure at L-band frequency. JPL provided both contractors with the antenna RF design and the etched thin membranes. The ILC Dover model has been delivered to JPL and gone through a series of deployment and RF tests. This is believed to be the first inflatable array antenna ever developed. This paper presents the mechanical and electrical constructions of this inflatable array and its test results.

Huang, J.↗
NASA NTRS1982

Transformation of the diamond /110/ surface

The diamond surface undergoes a transformation in its electronic structure by a vacuum anneal at approximately 900 C. This transformation is characterized by the appearance of a feature in the band gap region of the energy loss spectrum. The kinetics of the transformation on the (110) surface is studied by observing the growth of this feature with time and temperature. The transformation is found to be consistent with first-order kinetics with an activation energy of 4.8 eV. It is also found that the band gap feature could be removed by exposure of the transformed surface to excited hydrogen. The results are consistent with the polished diamond (110) surface being covered with hydrogen which removes the band gap states and can be thermally desorbed at approximately 900 C.

Pepper, S. V.↗
NASA NTRS1982

On Jupiter's whistler emission

A theory explaining Jupiter's banded whistler emission, in particular low-frequency hiss and chorus, is proposed. It is shown that superthermal electrons described by a kappa distribution function cause whistler instability below one-third of the electron gyrofrequency, whereas a two temperature Maxwellian leads to a band of unstable growing modes just below one-half of the electron gyrofrequency. A superposition of both yields almost exactly the structure of whistler mode hiss and chorus detected by the Voyager 1 and 2 plasma wave instrument.

Leubner, M. P.↗