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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Bulk and integrated acousto-optic spectrometers for molecular astronomy with heterodyne spectrometers

A survey of acousto-optic spectrometers for molecular astronomy is presented, noting a technique of combining the acoustic bending of a collimated coherent light beam with a Bragg cell followed by an array of sensitive photodetectors. This acousto-optic spectrometer has a large bandwidth, a large number of channels, high resolution, and is energy efficient. Receiver development has concentrated on high-frequency heterodyne systems for the study of the chemical composition of the interstellar medium. RF spectrometers employing acousto-optic diffraction cells are described. Acousto-optic techniques have been suggested for applications to electronic warfare, electronic countermeasures and electronic support systems. Plans to use integrated optics for the further miniaturization of acousto-optic spectrometers are described. Bulk acousto-optic spectrometers with 300 MHz and 1 GHz bandwidths are being developed for use in the back-end of high-frequency heterodyne receivers for astronomical research.

Chin, G.↗
NASA NTRS1986

Algorithms versus architectures for computational chemistry

The algorithms employed are computationally intensive and, as a result, increased performance (both algorithmic and architectural) is required to improve accuracy and to treat larger molecular systems. Several benchmark quantum chemistry codes are examined on a variety of architectures. While these codes are only a small portion of a typical quantum chemistry library, they illustrate many of the computationally intensive kernels and data manipulation requirements of some applications. Furthermore, understanding the performance of the existing algorithm on present and proposed supercomputers serves as a guide for future programs and algorithm development. The algorithms investigated are: (1) a sparse symmetric matrix vector product; (2) a four index integral transformation; and (3) the calculation of diatomic two electron Slater integrals. The vectorization strategies are examined for these algorithms for both the Cyber 205 and Cray XMP. In addition, multiprocessor implementations of the algorithms are looked at on the Cray XMP and on the MIT static data flow machine proposed by DENNIS.

Partridge, H.↗
NASA NTRS1989

Structural materials for space applications

The long-term performance of structural materials in the space environment is a key research activity within NASA. The primary concerns for materials in low Earth orbit (LEO) are atomic oxygen erosion and space debris impact. Atomic oxygen studies have included both laboratory exposures in atomic oxygen facilities and flight exposures using the Shuttle. Characterization of atomic oxygen interaction with materials has included surface recession rates, residual mechanical properties, optical property measurements, and surface analyses to establish chemical changes. The Long Duration Exposure Facility (LDEF) is scheduled to be retrieved in 1989 and is expected to provide a wealth of data on atomic oxygen erosion in space. Hypervelocity impact studies have been conducted to establish damage mechanisms and changes in mechanical properties. Samples from LDEF will be analyzed to determine the severity of space debris impact on coatings, films, and composites. Spacecraft placed in geosynchronous Earth orbit (GEO) will be subjected to high doses of ionizing radiation which for long term exposures will exceed the damage threshold of many polymeric materials. Radiation interaction with polymers can result in chain scission and/or cross-linking. The formation of low molecular weight products in the epoxy plasticize the matrix at elevated temperatures and embrittle the matrix at low temperatures. This affects both the matrix-dominated mechanical properties and the dimensional stability of the composite. Embrittlement of the matrix at low temperatures results in enhanced matrix microcracking during thermal cycling. Matrix microcracking changes the coefficient of thermal expansion (CTE) of composite laminates and produces permanent length changes. Residual stress calculations were performed to estimate the conditions necessary for microcrack development in unirradiated and irradiated composites. The effects of UV and electron exposure on the optical properties of transparent polymer films were also examined to establish the optimum chemical structure for good radiation resistance. Thoughts on approaches to establishing accelerated testing procedures are discussed.

Tenney, Darrel R.↗
NASA NTRS1990

Laser supported detonation wave source of atomic oxygen for aerospace material testing

A pulsed high-flux source of nearly monoenergetic atomic oxygen was developed to perform accelerated erosion testing of spacecraft materials in a simulated low-earth orbit (LEO) environment. Molecular oxygen is introduced into an evacuated conical expansion nozzle at several atmospheres pressure through a pulsed molecular beam valve. A laser-induced breakdown is generated in the nozzle throat by a pulsed CO2 TEA laser. The resulting plasma is heated by the ensuing laser-supported detonation wave, and then it rapidly expands and cools. An atomic oxygen beam is generated with fluxes above 10 to the 18th atoms per pulse at 8 + or - 1.6 km/s with an ion content below 1 percent for LEO testing. Materials testing yielded the same surface oxygen enrichment in polyethylene samples as observed on the STS mission, and scanning electron micrographs of the irradiated polymer surfaces showed an erosion morphology similar to that obtained on low earth orbit.

Krech, Robert H.↗
NASA NTRS1997

Why Are Buckyonions Round?

Multi-layered round carbon particles (onions) containing tens to hundreds of thousands of atoms form during electron irradiation of graphite carbon. However, theoretical models of large icosahedral fullerenes predict highly faceted shapes for molecules with more than a few hundred atoms. This discrepancy in shape may be explained by the presence of defects during the formation of carbon onions. Here, we use the semi-empirical tight-binding method for carbon to simulate the incorporation of pentagon-heptagon defects on to the surface of large icosahedral fullerenes. We show a simple mechanism that results in energetically competitive derivative structures and a global change in molecular shape from faceted to round. Our results provide a plausible explanation of the apparent discrepancy between experimental observations of round buckyonions and theoretical predictions of faceted icosahedral fullerenes.

Bates, Kevin R.↗
NASA NTRS1998

Molecular Static Third-Order Polarizabilities of Carbon-Cage Fullerene and Their Correlation with Three Geometric Properties: Symmetry, Aromaticity, and Size

The static third-order polarizabilities (gamma) of C60, C70, five isomers of C78 and two isomers of C84 were analyzed in terms of three properties, from a geometric point of view: symmetry, aromaticity and size. The polarizability values were based on the finite field approximation using a semiempirical Hamiltonian (AM1) and applied to molecular structures obtained from density functional theory calculations. Symmetry was characterized by the molecular group order. The selection of 6-member rings as aromatic was determined from an analysis of bond lengths. Maximum interatomic distance and surface area were the parameters considered with respect to size. Based on triple linear regression analysis, it was found that the static linear polarizability (alpha) and gamma in these molecules respond differently to geometrical properties: alpha depends almost exclusively on surface area while gamma is affected by a combination of number of aromatic rings, length and group order, in decreasing importance. In the case of alpha, valence electron contributions provide the same information as all-electron estimates. For gamma, the best correlation coefficients are obtained when all-electron estimates are used and when the dependent parameter is ln(gamma) instead of gamma.

Moore, C. E.↗
NASA NTRS2001

The Production of Complex Organics from Interstellar Ices

Infrared spectroscopy of ices in interstellar dense molecular clouds has shown that they contain a variety of simple molecules, as well as aromatic hydrocarbons. While in these clouds, these ices are processed by ultraviolet light and cosmic rays. High vacuum, UV irradiation laboratory simulations conducted using various realistic approx. 10 K interstellar mixed-molecular ice analogs, both with and without polycyclic aromatic hydrocarbons (PAHs), have been carried out in NASA-Ames' Astrochemistry Laboratory. Upon warming, these irradiated ices are found to produce refractory organic residues. These residues have been analyzed using a variety of techniques, including HPLC and laser desorption mass spectrometry, and they have been shown to contain a variety of complex organic compounds. Several of these compounds may be of prebiotic significance. In particular, we will discuss the detection of quinones (substituted PAHs that are used by living systems for electron transport) and amphiphiles (molecules that self-assemble to form membranes). Laboratory simulations have also demonstrated that the organic products can show isotopic enrichments in D that provide clues for the mechanisms of their formation. Similar compounds and D enrichments are seen in the organics found in primitive meteorites, suggesting a direct link between interstellar chemistry and the delivery of organics to newly formed planets.

Sandford, Scott A.↗
NASA NTRS1981

Effect of laser frequency on a collision-induced radiative process

A review is presented of the principles of collision induced radiative processes, followed by an examination of the effects of laser frequencies on these processes. A one-dimensional problem involving two electron states is considered, and it is found that the Hamiltonian of the radiation field is dominated by electric-dipole interaction which couples states of different parity. Transitions are noted to be dependent on collisions, and the complexities of three-dimensional systems are expressed as considerations of the angular momentum of the photon, the necessity of treating different states simultaneously, and the fact that a radiation field destroys rotational invariance. Changing the radiation frequency alters the crossing point and offers opportunities to study the interplay of potential surfaces with molecular dynamics. Experiments on Na+A systems are outlined for several collision energies and various laser frequencies. Multiple crossings were obtained, although the total cross-section, at all energies, decreased at 18,350/cm.

Devries, P. L.↗
NASA NTRS1992

Studies of the kinetics and mechanisms of perfluoroether reactions on iron and oxidized iron surfaces

Polymeric perfluoroalkylethers are being considered for use as lubricants in high temperature applications, but have been observed to catalytically decompose in the presence of metals. X-ray photoelectron spectroscopy (XPS) and temperature programmed desorption (TPD) were used to explore the decomposition of three model fluorinated ethers on clean polycrystalline iron surfaces and iron surfaces chemically modified with oxygen. Low temperature adsorption of the model fluorinated ethers on the clean, oxygen modified and oxidized iron surfaces was molecular. Thermally activated defluorination of the three model compounds was observed on the clean iron surface at remarkably low temperatures, 155 K and below, with formation of iron fluoride. Preferential C-F bond scission occurred at the terminal fluoromethoxy, CF3O, of perfluoro-1-methoxy-2-ethoxy ethane and perfluoro-1-methoxy-2-ethoxy propane and at CF3/CF2O of perfluoro-1,3-diethoxy propane. The reactivity of the clean iron toward perfluoroalkylether decomposition when compared to other metals is due to the strength of the iron fluoride bond and the strong electron donating ability of the metallic iron. Chemisorption of an oxygen overlayer lowered the reactivity of the iron surface to the adsorption and decomposition of the three model fluorinated ethers by blocking active sites on the metal surface. Incomplete coverage of the iron surface with chemisorbed oxygen results in a reaction which resembles the defluorination reaction observed on the clean iron surface. Perfluoro-1-methoxy-2-ethoxy ethane reacts on the oxidized iron surface at 138 K, through a Lewis acid assisted cleavage of the carbon oxygen bond, with preferential attack at the terminal fluoromethoxy, CF3O. The oxidized iron surface did not passivate, but became more reactive with time. Perfluoro-1-methoxy-2-ethoxy propane and perfluoro-1,3-diethoxy propane desorbed prior to the observation of decomposition on the oxidized iron surface.

Napier, Mary E.↗
NASA NTRS1998

A 2 THz Heterodyne Array Receiver for SOFIA

We proposed to perform a comprehensive design study of a 16-element heterodyne array receiver for SOFIA. The array was designed to utilize hot-electron bolometers in an efficient, low-cost waveguide mount to achieve low noise performance between approx. 1500 and 2400 GHz. Due to the prevailing physical conditions in the interstellar medium, this frequency range is one of the richest in the FIR portion of the spectrum. An array designed for this wavelength range will make excellent use of the telescope and the available atmospheric transmission, and will provide a new perspective on stellar, chemical, and galaxy evolution in the present as well as past epochs. A few of the most important molecular and atomic species which the instrument will sample are CII, OI, CO, OH, NII, and CH. The system used the most sensitive detectors available in an efficient optical system. The local oscillator was a compact CO2 pumped far-infrared laser currently under development for SOFIA. The backend spectrometer was an array acousto-optic spectrometer (aAOS). The spectrometer utilizes proven hardware and technologies to provide broadband performance (greater than or equal to 1 GHz per AOS channel) and high spectral resolution (1 MHz) with the maximum sensitivity and minimum complexity and cost. The proposed instrument would be the fastest and most sensitive heterodyne receiver ever to operate in the 1.5 - 2.4 THz band. One of the key technologies developed for the proposed instrument is the laser micromachining of waveguide structures. These structures provide both the optical link between the instrument and the telescope (via an array of efficient feedhorns) and the impedance transformation between the detectors and free space. With the assistance of funds provided from this grant, we were able to fabricate and test the world's first laser micromachined feedhorns. Figure 1 is a photograph of the 2 THz double feedhorn structure designed and constructed under the auspices of this grant. The quality of the waveguide structure is far better than that obtainable using any other fabrication technique. Figure 2 is the beam pattern obtained from it. The beam parameters are an excellent match to what is expected from theory. The success of this experiment demonstrates the viability of using laser micromachined components in the development of high performance, large format array receivers. Figure 3 is an illustration of the focal plane array concept we developed lot- SOFIA base upon this work. Un- fortunately, our instrument proposal was not selected as a first generation SOFIA instrument. However, we have continued our development efforts and will propose to build a 2nd generation instrument based on the same design concepts. Our work under NAG 2-1057 was very rewarding and we appreciate the opportunity provided by NASA to pursue it. The research led directly to publishing 2 papers (listed below) and the award of an NSF grant to our group to construct a laser micromachining system on the University of Arizona campus.

Walker, Christopher K.↗
NASA NTRS1996

A 2 THz Heterodyne Array Receiver for SOFIA

We proposed to perform a comprehensive design study of a 16-element heterodyne array receiver for SOFIA. The array was designed to utilize hot-electron bolometers in an efficient, low-cost waveguide mount to achieve low noise performance between approx. 1500 and 2400 GHz. Due to the prevailing physical conditions in the interstellar medium, this frequency range is one of the richest in the FIR portion of the spectrum. An array designed for this wavelength range will make excellent use of the telescope and the available atmospheric transmission, and will provide a new perspective on stellar, chemical, and galaxy evolution in the present as well as past epochs. A few of the most important molecular and atomic species which the instrument will sample are CII, OI, CO, OH, NII, and CH. The system used the most sensitive detectors available in an efficient optical system. The local oscillator was a compact CO2 pumped far-infrared laser currently under development for SOFIA. The backend spectrometer was an array acousto-optic spectrometer (aAOS). The spectrometer utilizes proven hardware and technologies to provide broadband performance (greater than or equal to 1 GHz per AOS channel) and high spectral resolution (1 MHz) with the maximum sensitivity and minimum complexity and cost. The proposed instrument would be the fastest and most sensitive heterodyne receiver ever to operate in the 1.5 - 2.4 THz band. One of the key technologies developed for the proposed instrument is the laser micromachining of waveguide structures. These structures provide both the optical link between the instrument and the telescope (via an array of efficient feedhorns) and the impedance transformation between the detectors and free space. With the assistance of funds provided from this grant, we were able to fabricate and test the world's first laser micromachined feedhorns. The quality of the waveguide structure is far better than that obtainable using any other fabrication technique. The beam parameters are an excellent match to what is expected from theory. The success of this experiment demonstrates the viability of using laser micromachined components in the development of high performance, large format array receivers. Unfortunately, our instrument proposal was not selected as a first generation SOFIA instrument. However, we have continued our development efforts and will propose to build a 2nd generation instrument based on the same design concepts.

Walker, Christopher K.↗
NASA NTRS1994

Growth of delta-doped layers on silicon CCD/S for enhanced ultraviolet response

The backside surface potential well of a backside-illuminated CCD is confined to within about half a nanometer of the surface by using molecular beam epitaxy (MBE) to grow a delta-doped silicon layer on the back surface. Delta-doping in an MBE process is achieved by temporarily interrupting the evaporated silicon source during MBE growth without interrupting the evaporated p+ dopant source (e.g., boron). This produces an extremely sharp dopant profile in which the dopant is confined to only a few atomic layers, creating an electric field high enough to confine the backside surface potential well to within half a nanometer of the surface. Because the probability of UV-generated electrons being trapped by such a narrow potential well is low, the internal quantum efficiency of the CCD is nearly 100% throughout the UV wavelength range. Furthermore, the quantum efficiency is quite stable.

Hoenk, Michael E.↗
NASA NTRS2012

Flux Estimates of Ions from the Lunar Exosphere

We compare estimates for the ion fluxes of twelve expected constituents of the lunar exosphere with estimates for the ion fluxes ejected from the lunar surface by solar wind ions and electrons. Our estimates demonstrate that measurements of lunar ions will help constrain the abundances of many undetected species in the lunar exosphere, particularly AI and Si, because the expected ion flux levels from the exosphere exceed those from the surface. To correctly infer the relative abundances of exospheric ions and neutrals from Kaguya Ion Mass Analyzer (IMA) measurements, we must take into account the velocity distributions of local ions. The predicted spectrum underestimates the measured levels of 0+ relative to other lunar ion species, a result that may suggest contributions by molecular ions to the measured 0+ rates.

Sarantos, M.↗
NASA NTRS1991

Laboratory studies in ultraviolet solar physics

The research activity comprised the measurement of basic atomic processes and parameters which relate directly to the interpretation of solar ultraviolet observations and to the development of comprehensive models of the component structures of the solar atmosphere. The research was specifically directed towards providing the relevant atomic data needed to perform and to improve solar diagnostic techniques which probe active and quiet portions of the solar chromosphere, the transition zone, the inner corona, and the solar wind acceleration regions of the extended corona. The accuracy with which the physical conditions in these structures can be determined depends directly on the accuracy and completeness of the atomic and molecular data. These laboratory data are used to support the analysis programs of past and current solar observations (e.g., the Orbiting solar Observatories, the Solar Maximum Mission, the Skylab Apollo Telescope Mount, and the Naval Research Laboratory's rocket-borne High Resolution Telescope and Spectrograph). In addition, we attempted to anticipate the needs of future space-borne solar studies such as from the joint ESA/NASA Solar and Heliospheric Observatory (SOHO) spacecraft. Our laboratory activities stressed two categories of study: (1) the measurement of absolute rate coefficients for dielectronic recombination and electron impact excitation; and (2) the measurement of atomic transition probabilities for solar density diagnostics. A brief summary of the research activity is provided.

Parkinson, W. H.↗
NASA NTRS1995

Ferrix Chloride-Graphite Intercalation Compounds Prepared From Graphite Flouride

The reaction between graphite fluoride and ferric chloride was observed in the temperature range of 300 to 400 C. The graphite fluorides used for this reaction have an sp(sup 3) electronic structure and are electrical insulators. They can be made by fluorinating either carbon fibers or powder having various degrees of graphitization. Reaction is fast and spontaneous and can occur in the presence of air. The ferric chloride does not have to be predried. The products have an sp(sup 2) electronic structure and are electrical conductors. They contain first-stage FeCl3 intercalated graphite. Some of the products contain FeCl2 (center dot) 2H2O, others contain FeF3, in concentrations that depend on the intercalation condition. The graphite intercalated compounds (GIC) deintercalated slowly in air at room temperature, but deintercalated quickly and completely at 370 C. Deintercalation is accompanied by the disappearance of iron halides and the formation of rust (hematite) distributed unevenly on the fiber surface. When heated to 400 C in pure N2 (99.99 vol%), this new GIC deintercalates without losing its molecular structure. However, when the compounds are exposed to 800 C N2, in a quartz tube, they lost most of their halogen atoms and formed iron oxides (other than hematite), distributed evenly in or on the fiber.

Hung, Ching-Cheh↗
NASA NTRS1979

Electrotransport purification of thorium under low pressure conditions

It was demonstrated that the ultrapurification of refractory metals by electrotransport refining could best be accomplished in the noncontaminating environment of an orbiting low density materials laboratory such as the Molecular Shield Device. Refining experiments were performed at 2 x 10 to the -12th Torr which resulted in the preparation of small quantities of the World's purest thorium metal. The microgravity occurring in orbit was simulated electromagnetically and shown to be advantageous in eliminating grain-sliding caused by the plastic deformation of the sample at high temperature. The electrotransport sample assembly was tested in several environments including simulated solar irradiation, coldness and darkness and under various pressure conditions. Ultrapure single crystals of alpha thorium were also prepared and characterized. Laboratory electronics for the experiment were developed and a totally automatic control system was used to heat the specimens.

Schmidt, F. A.↗
NASA NTRS1984

The nature of the metal-CO interaction and bonding

The adsorption of CO on metal surfaces is represented by molecular orbital cluster models of CO at an on top site and adsorbed normal to the surface carbon end down. Ab initio SCF and MCSCF calculations are performed for several clusters. The new constrained space orbital variation CSOV approach is used to analyze the bonding and to compare CO adsorption on Al, representative of sp metals, with that on Cu, representative of transition metals. There is a large repulsion between the superposed free CO and metal charge distributions which is considerably smaller for Cu than for Al because there are fewer valence sigma electrons for Cu than for Al. The CSOV analysis shows that the metal to CO pi donation is much more important than the CO to metal sigma donation. It is also shown that for Cu, the d pi contribution to the metal pi donation is larger than the valence 4p pi contribution. The d pi donation is compared between Fe, Ni, and Cu and this donation and the metal-CO interaction are found to be different in the order Fe greater than Ni greater than Cu.

Bagus, P. S.↗
NASA NTRS1984

Mechanism for forming hydrogen chloride and sodium sulfate from sulfur trioxide, water, and sodium chloride

A molecular orbital study of sodium sulfate and hydrogen chloride formation from sulfur trioxide, water, and sodium chloride shows no activation barrier, in agreement with recent experimental work of Kohl, Fielder, and Stearns. Two overall steps are found for the process. First, gas-phase water reacts with sulfur trioxide along a pathway involving a linear O-H-O transition state yielding closely associated hydroxyl and bisulfite which rearrange to become a hydrogen sulfate molecule. Then the hydrogen sulfate molecule transfers a hydrogen atom to a surface chloride in solid sodium chloride while an electron and a sodium cation simultaneously transfer to yield sodium bisulfate and gas-phase hydrogen chloride. This process repeats. Both of these steps represent well-known reactions for which mechanisms have not been previously determined.

Anderson, A. B.↗