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At least 937 records · Page 52

Approximate spin projection of three-component UHF wavefunctions - The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5/2-/

The approximate spin projection method of Amos et al. is extended to handle UHF wave functions having three significant components of differing multiplicity. An expression is given for the energy after single annihilation which differs from that of Amos and Hall. The new expression reproduces the results obtained from a previous exact calculation for which the weights and energies of the components are known. The extended approximate projection method is applied to the pi-electron UHF wave functions for the ground states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5(2-). The results indicate a triplet ground state for the former and a singlet ground state for the latter, in agreement with experimental ESR susceptibility measurements for these molecular ions. C5C15(-) cannont be treated by restricted Hartree-Fock theory, due to its open-shell ground state. Incorrect results are obtained for the croconate dianion, if restricted Hartree-Fock theory and singly excited configuration interactions are utilized.

Phillips, D. H.↗

Alkoxysilane adsorption on metal oxide substrates

Reflection-absorption infrared and inelastic electron tunneling spectroscopies have been used to study adsorption of liquid phase mono-, di-, and trialkoxysilanes on evaporated Al and Cu substrates. Spectral evidence shows that substrate properties influence the chemical and physical nature of trialkoxysilane films and that silane functionality plays a role in molecular orientation. Results show that dialkoxysilane films contain structural gradients, with adsorption at the monomolecular level influenced by surface morphology, and with organofunctionality and dosing procedure affecting the formation of thicker films. Evidence is presented that monoalkoxysilanes react with alumina surfaces, and a broad, multipeaked band from 1600 to 1900/cm has been interpreted as characteristic of the silylated AlO(x)Pb interface.

Ramsier, R. D.↗

A Method for Localizing Energy Dissipation in Blazars Using Fermi Variability

The distance of the Fermi-detected blazar gamma-ray emission site from the supermassive black hole is a matter of active debate. Here we present a method for testing if the GeV emission of powerful blazars is produced within the sub-pc scale broad line region (BLR) or farther out in the pc-scale molecular torus (MT) environment. If the GeV emission takes place within the BLR, the inverse Compton (IC) scattering of the BLR ultraviolet (UV) seed photons that produces the gamma-rays takes place at the onset of the Klein-Nishina regime. This causes the electron cooling time to become practically energy independent and the variation of the gamma-ray emission to be almost achromatic. If on the other hand the -ray emission is produced farther out in the pc-scale MT, the IC scattering of the infrared (IR) MT seed photons that produces the gamma-rays takes place in the Thomson regime, resulting to energy-dependent electron cooling times, manifested as faster cooling times for higher Fermi energies. We demonstrate these characteristics and discuss the applicability and limitations of our method.

Dotson, Amanda↗

Process Development and Testing for Lunar Habitats

Non-metallic composites are appealing for Lunar habitats due to their low specific weight and contribution to passive radiation shielding. This application of composite materials presents notable challenges, however: flammability risks are higher due to elevated oxygen levels expected in habitat structures and absorbed radiation can cause damage long-term. The Materials and Processes Laboratory at Marshall Space Flight Center awarded funding for an internal research and development study which included fabrication and testing of composite materials for Lunar habitats. Composite layups used carbon fiber or ultra-high molecular weight polyethylene reinforcement and a variety of polymer matrices. Pre-impregnated fabric was autoclave cured; however, novel coatings were incorporated during select layups. Samples from each panel were used for screening-level flammability testing (ASTM D 2863) and combined vacuum ultraviolet and electron irradiation followed by tension testing (ASTM D5766). Two of the tested composite materials exceeded a 37% limiting oxygen index. Material property degradation for a 10 year simulated radiation dose was minimal in most cases.

manufacturing↗

Excitation of atomic nitrogen by electron impact.

Measurement of the absolute cross sections for the excitation of a number of N I multiplets by electron impact on atomic nitrogen. Two of these cross sections - 1134 and 1200 A - are found to be large, reaching 2.0 x 10 to the minus 16th and 2.5 x 10 to the minus 16th sq cm at their peaks, respectively. The presence of vibrationally excited molecular nitrogen in the discharged gas is confirmed, and its effect on the measurements is discussed. The ratio of the oscillator strengths of the 1200- and 1134-A resonance transitions is measured to be 2.6 plus or minus 0.3.

Stone, E. J.↗

Reinvestigation of rotational-line intensity factors in diatomic spectra

The theory of the intensity factors of rotational lines in diatomic molecular spectra is reviewed with an emphasis on removing obscurities and resolving ambiguities that exist. For example, a unified intensity-factor sum rule is derived that is valid for all spin-allowed and spin-forbidden dipole transitions. Further, it is shown that the electronic transition moments can always be chosen to be real and that a few simple rules ensure the application of consistent phase factors.

Whiting, E. E.↗

Planetary atmospheres with mass spectrometers carried on high-speed probes or satellites

Earth satellite-borne mass spectrometers are considered, taking into account the identification of atomic oxygen in the thermosphere with an 'open' source mass spectrometer flown on a sounding rocket, the conventional closed-source instrument, the mass spectrometers on the Atmosphere Explorer satellites, and mass spectrometer electron multiplier output. A description is presented of mass spectrometers and planetary entry probes. Attention is given to an attempt to obtain an atmospheric composition profile with a terrestrial entry probe, the descending trajectory in the early orbits of the Atmosphere Explorer C satellite, and the molecular nitrogen densities for the descending legs of the orbits. It is pointed out that chemical reactions on the surfaces of the mass spectrometer make the measurement of reactive atmospheric species such as atomic oxygen very difficult.

Nier, A. O.↗

Formation of ions and radicals from icy grains in comets

Ion and radical formation in comets are thought to occur primarily by photodissociation of gas phase molecules. Experimental evidence and theoretical calculations are presented that show that some of the radical and ions can come directly from ice grains. The experimental evidence suggest that if the frozen molecules on the surface of grains undergo direct dissociation then they may be able to release radicals directly in the gas phase. If the molecules undergo predissociation it is unlikely that they will release radicals in the gas phase since they should be quenched. Calculations of this direct photodissociation mechanism further indicate that even if the parent molecule undergoes direct dissociation, the yield will not be high enough to explain the rays structure in comets unless the radicals are stored in the grains and then released when the grain evaporates. Calculations were also performed to determine the maximum number of ions that can be stored in an icy grain's radius. This number is compared with the ratio of the ion to neutral molecular density. The comparison suggests that some of the ions observed near the nucleus of the comet could have originally been present in the cometary nucleus. It is also pointed out that the presence of these ions in icy grains could lead to radical formation via electron recombination. Finally, an avalanche process was evaluated as another means of producing ions in comets.

Jackson, William M.↗

High Mobility SiGe/Si Transistor Structures on Sapphire Substrates Using Ion Implantation

High mobility n-type SiGe/Si transistor structures have been fabricated on sapphire substrates by ion implanting phosphorus ions into strained 100 Angstrom thick silicon channels for the first time. The strained Si channels were sandwiched between Si(sub 0.7)Ge(sub 0.3) layers, which, in turn, were deposited on Si(sub 0.7)Ge(sub 0.3) virtual substrates and graded SiGe buffer layers. After the molecular beam epitaxy (MBE) film growth process was completed, ion thick silicon channels implantation and post-annealing were used to introduce donors. The phosphorous ions were preferentially located in the Si channel at a peak concentration of approximately 1x10(exp 18)/cu cm. Room temperature electron mobilities exceeding 750 sq cm/V-sec at carrier densities of 1x10(exp 12)/sq cm were measured. Electron concentration appears to be the key factor that determines mobility, with the highest mobility observed for electron densities in the 1 - 2x10(exp 12)/sq cm range.

Alterovitz, S. A.↗

Results from the Gas Chromatograph Mass Spectrometer (GCMS) Experiment on the Cassini-Huygens Probe

The Gas Chromatograph Mass Spectrometer was one of six instruments on the Cassini-Huygens Probe mission to Titan. The GCMS measured in situ the chemical composition of the atmosphere during the probe descent and served as the detector for the pyrolization products for the Aerosol Collector Pyrolyser (ACP) experiment to determine the composition of the aerosol particles. The GCMS collected data from an altitude of 146 km to ground impact. The Probe and the GCMS survived impact and collected data for 1 hour and 9 minutes on the surface. Mass spectra were collected during descent and on the ground over a range of m/z from 2 to 141. The major constituents of the lower atmosphere were confirmed to be N2 and CH4. The methane mole fraction was uniform in the stratosphere. It increased below the tropopause, at about 32 km altitude, monotonically toward the surface, reaching a plateau at about 8 km at a level near saturation. After surface impact a steep increase of the methane signal was observed, suggesting evaporation of surface condensed methane due to heating by the GCMS sample inlet heater. The measured mole fraction of Ar-40 is 4.3x10(exp -5) and of Ar-36 is 2.8x10(exp -7). The other primordial noble gases were below 10(exp -8) mole fraction. The isotope ratios of C-12/C-13 determined from methane measurements are 82.3 and of N-14/N-15 determined from molecular nitrogen are 183. The D/H isotope ratio determined from the H2 and HD measurements is 2.3x10(exp -4). Carbon dioxide, methane, acetylene and cyanogen were detected evaporating from the surface in addition to methane. The GCMS employed a quadrupole mass filter with a secondary electron multiplier detection system and a gas sampling system providing continuous direct atmospheric composition measurements and batch sampling through three gas chromatographic (GC) columns, a chemical scrubber and a hydrocarbon enrichment cell. The GCMS gas inlet was heated to prevent condensation, and to evaporate volatiles from the surface after impact.

Niemann, H.↗

Results from the Gas Chromatograph Mass Spectrometer (GCMS) Experiment on the Cassini-Huygens Probe

The Gas Chromatograph Mass Spectrometer was one of six instruments on the Cassini-Huygens Probe mission to Titan. The GCMS measured in situ the chemical composition of the atmosphere during the probe descent and served as the detector for the pyrolization products for the Aerosol Collector Pyrolyser (ACP) experiment to determine the composition of the aerosol particles. The GCMS collected data from an altitude of 146 km to ground impact. The Probe and the GCMS survived impact and collected data for 1 hour and 9 minutes on the surface. Mass spectra were collected during descent and on the ground over a range of mlz from 2 to 141. The major constituents of the lower atmosphere were confirmed to be N2 and CH4. The methane mole fraction was uniform in the stratosphere. It increased below the tropopause, at about 32 km altitude, monotonically toward the surface, reaching a plateau at about 8 km at a level near saturation. After surface impact a steep increase of the methane signal was observed, suggesting evaporation of surface condensed methane due to heating by the GCMS sample inlet heater. The measured mole fraction of Ar-40 is 4.3x10(exp -5) and of Ar-36 is 2.8x10(exp -7). The other primordial noble gases were below 10(exp -8) mole fraction. The isotope ratios of C-12/C-13 determined from methane measurements are 82.3 and of N-14/N-15 determined from molecular nitrogen are 183. The D/H isotope ratio determined from the H2 and HD measurements is 2.3x10(exp -4). Carbon dioxide, ethane, acetylene and cyanogen were detected evaporating from the surface in addition to methane. The GCMS employed a quadrupole mass filter with a secondary electron multiplier detection system and a gas sampling system providing continuous direct atmospheric composition measurements and batch sampling through three gas chromatographic (GC) columns, a chemical scrubber and a hydrocarbon enrichment cell. The GCMS gas inlet was heated to prevent condensation, and to evaporate volatiles from the surface after impact.

Niemann, Hasso↗

Anaerobic Expression and Purification of Holo-CCIS, an Artificial Iron-sulfur Protein

Iron-sulfur proteins are ubiquitous among all living organisms and are indispensable for almost all metabolic pathways ranging from photosynthesis, respiration, nitrogen, and carbon dioxide cycles. The iron-sulfur clusters primarily serve as electron acceptors and donors and transfer electrons to active sites of various enzymes, thus driving the energy metabolism. Prokaryotes like E. coli have ISC and SUF pathways that help in the assembly and maturation of iron-sulfur proteins. These ironsulfur proteins, especially with [4Fe-4S] clusters, are highly sensitive to molecular oxygen, and it would be advantageous if the de novo proteins and native proteins having iron-sulfur binding sites are expressed and isolated under anaerobic conditions. Bacterially assembled iron-sulfur proteins, when isolated and purified anaerobically, exhibit improved biochemical and biophysical stabilities in comparison to the counterparts expressed and purified aerobically and reconstituted under anaerobic conditions. This protocol outlines the expression and purification of the artificial protein, Coiled-Coil IronSulfur (CCIS). It may be deployed to both natural and artificial [4Fe-4S] proteins when heterologously expressed in E. coli.

Bhanu P. Jagilinki↗

Characterization of GaAlAs optical waveguide heterostructures grown by molecular beam epitaxy

Multiple-layer GaAlAs optical waveguide heterostructures have been grown by MBE. These samples were designed to operate at 840 nm with negligible coupling of guided light to the absorbing GaAs substrate. The Al concentration was 13 percent for the guiding layer and was 16 percent for the cladding layers. The process for growing waveguide layers was calibrated primarily by high-energy electron diffraction, with the optical quality confirmed by photoluminescence measurements. Channel waveguide structures having widths of 5 microns were etched in a low-pressure magnetically confined multipolar plasma reactor. The resulting waveguide structures were characterized by Raman spectroscopy, ellipsometry, AES, and optical-waveguide loss measurements.

Radens, C. J.↗

Electron Beam Welding of Pure Tungsten Hex Cans for Nuclear Thermal Propulsion Engines

Nuclear thermal propulsion (NTP) is an in-space propulsion method currently being developed at the NASA Marshall Space Flight Center (MSFC). NTP systems are a high specific impulse (750–1,100 s), high thrust (15,000–250,000 lbf ) method of propulsion which have the potential to allow for faster transit times when optimizing for high ΔV. In the nuclear rocket engine, the heat from the nuclear fission reaction is transferred to a low molecular mass propellant (such as hydrogen). Hot propellant is expanded through a nozzle to generate thrust. Development of ceramic metal (cermet) fuel systems for NTP applications is currently ongoing at MSFC. In cermet fuel systems, ceramic fissile fuel particles such as uranium nitride or uranium dioxide are dispersed within a net-shaped, high-density structural matrix. The composite material is cladded by a protective metal structure to make up an NTP fuel element. Cladding materials must be able to withstand the demanding operating conditions required of the engine as well as retain a hermetic seal to allow for retention of fuel element structural integrity, prevent hydrogen attack or migration of the ceramic fuel, and limit release of fission products during operation. For NTP applications, tungsten is a prime material for both the metal matrix and cladding in cermet fuel systems because of its high melting point, high temperature strength, and compatibility with hot hydrogen. If a weld in tungsten with the capability of holding a hermetic seal is achievable, tungsten becomes a strong candidate for NTP applications. This Technical Memorandum focuses on determining the weldability of pure tungsten using electron beam welding (EBW). Tungsten appears well suited for NTP applications, but it has a high ductile to brittle transition temperature (DBTT) dependent upon chemical composition, structure/stress distribution, and mechanical conditions. Therefore, it is highly subject to brittle fracture. Because of its high susceptibility to brittle fracture, it is very difficult to weld. EBW was chosen for joining pure tungsten because of its low heat input compared to gas tungsten arc welding. Reduced heat input can be directly correlated with an increase in ductility of a tungsten weld. EBW is a high energy density welding process in which a stream of electrons penetrates a weld joint in a deep, narrow spike in contrast to a broad gas tungsten arc weld pool. The investigation initially focused on EBW of tungsten plates of both 0.01 in and 0.03 in thickness to determine if EBW could weld pure tungsten without the presence of visual defects—particularly cracking—in the welds. Variation in the weld procedure and post-weld heat treatment (PWHT) was used to improve the surface appearance of flat EBWs on a pure tungsten sheet. The investigation moved on to weld 0.05-in-thick hexagonal tungsten cans with a weld joint thickness of 0.025 in. The goal for welding the pure tungsten hex cans was to avoid any visual surface defects and generate a weld capable of a hermetic seal. This proved difficult. Cold welds commonly exhibited porosity that leaked air. Hot welds exhibited cracks, typically observed immediately after welding. Later welds were preheated to increase ductility and decrease the likelihood of through-thickness cracking. PWHT was used to arrest microcrack growth both in the flat weld samples and hexagonal weld samples.

Courtright, Z. S.↗

Photochemistry of N2(+) in the daytime F region

The photochemistry of N2(+) in the daytime F region continues to be a source of concern due primarily to the uncertain roles of the metastable O+(2D) ion and possible vibrational excitation. This investigation adopts a unique subset of data from the Atmospheric Explorer C satellite that spans distinct regions near the low-latitude F peak wherein either chemical reactions or electron processes alternatively control the N2(+) abundances. Concentrations of N2(+) calculated according to current theory and including recent laboratory data for O+(2D) losses via N2 are found to exceed ionospheric observations between 220 and 400 km by a factor near 2. Relevant characteristics of the basic molecular ion concentration measurements are described, along with an analysis for select orbits conducted according to current photochemical equilibrium theory. Possible simple modifications of this theory are discussed in terms of the constraints suggested by the nature of the observations.

Breig, E. L.↗

Wicks For Refrigerants In Heat Pipes

Ultra-high-molecular-weight material compatible with efficient heat-transfer fluids. New wick material for heat pipes first physically and chemically compatible with chlorofluoromethanes, chlorofluoroethanes, and ammonia. Allows one of these refrigerants to be used as working fluid in capillary-pump heat-pipe loop for cooling electronic equipment.

Seidenberg, Benjamin↗

The microwave spectrum of the AlO radical

The rotational spectrum of the aluminum monoxide radical in the ground electronic state X 2Sigma(+) was observed in the millimeter- and submillimeter-wave region. Aluminum monoxide radicals were generated directly in a flow reactor absorption cell by the reaction of N2O with aluminum vaporized from a high-temperature crucible. The observed spectrum was analyzed to yield molecular constants including the rotational constant, centrifugal distortion constant, spin-rotation interaction constant, magnetic hyperfine interaction constants, and nuclear quadrupole coupling constant.

Yamada, Chikashi↗

LDEF polymeric materials: A summary of Langley characterization

The NASA Long Duration Exposure Facility (LDEF) enabled the exposure of a wide variety of materials to the low earth orbit (LEO) environment. This paper provides a summary of research conducted at the Langley Research Center into the response of selected LDEF polymers to this environment. Materials examined include graphite fiber reinforced epoxy, polysulfone, and additional polyimide matrix composites, films of FEP Teflon, Kapton, several experimental high performance polyimides, and films of more traditional polymers such as poly(vinyl toluene) and polystyrene. Exposure duration was either 10 months or 5.8 years. Flight and control specimens were characterized by a number of analytical techniques including ultraviolet-visible and infrared spectroscopy, thermal analysis, scanning electron and scanning tunneling microscopy, x-ray photoelectron spectroscopy, and, in some instances, selected solution property measurements. Characterized effects were found to be primarily surface phenomena. These effects included atomic oxygen-induced erosion of unprotected surfaces and ultraviolet-induced discoloration and changes in selected molecular level parameters. No gross changes in molecular structure or glass transition temperature were noted. The intent of this characterization is to increase our fundamental knowledge of space environmental effects as an aid in developing new and improved polymers for space application. A secondary objective is to develop benchmarks to enhance our methodology for the ground-based simulation of environmental effects so that polymer performance in space can be more reliably predicted.

Young, Philip R.↗