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At least 469 records · Page 26

Polarizabilities and Other Properties of the td Muons Molecular Ion

Wavefunctions of Hylleraas type were used earlier to calculate energy levels of muonic systems. Recently, we found in the case of the molecular ions H2+, D2+ and HD+ that it was necessary to include high powers of the internuclear distance in the Hylleraas functions to localize the nuclear motion when treating the ions as three-body systems without invoking the Born-Oppenheimer approximation. We try the same approach in a muonic system, td(mu-). Improved convergence is obtained for J = 0 and 1 states for shorter expansions when we use this type of generalized Hylleraas function, but as the expansion length increases the high powers are no longer useful. We obtain good energy values for the two lowest J = 0 and J = 1 states and compare them with the best earlier calculations. Expectation values are obtained for various operators, the Fermi contact parameters, and the permanent quadrupole moment. The cusp conditions are also calculated. The polarizability of the ground state is then calculated using second-order perturbation theory with intermediate J = 1 pseudostates. It should be possible to measure the polarizability by observing Rydberg states of atoms with td(mu-) acting as the nucleus.

Bhatia, A. K.↗

Analysis of Surface and Bulk Behavior in Ni-Pd Alloys

The most salient features of the surface structure and bulk behavior of Ni-Pd alloys have been studied using the BFS method for alloys. Large-scale atomistic simulations were performed to investigate surface segregation profiles as a function of temperature, crystal face, and composition. Pd enrichment of the first layer was observed in (111) and (100) surfaces, and enrichment of the top two layers occurred for (110) surfaces. In all cases, the segregation profile shows alternate planes enriched and depleted in Pd. In addition, the phase structure of bulk Ni-Pd alloys as a function of temperature and composition was studied. A weak ordering tendency was observed at low temperatures, which helps explain the compositional oscillations in the segregation profiles. Finally, based on atom-by-atom static energy calculations, a comprehensive explanation for the observed surface and bulk features will be presented in terms of competing chemical and strain energy effects.

Bozzolo, Guillermo↗

Wavelengths, f-Values, and Cross Sections in the UV Spectra of Astrophysical, Atoms, Ions, and Molecules

Data analysis for Fe III was completed in 2004. The new spectra give wavelengths and some energy levels for Fe III that are at least an order of magnitude more accurate than values in the literature. However, the data set is missing - because they are outside the wavelength range that we can study at Imperial College or with ancillary FT spectroscopy measurements at NIST - important transitions that would allow all energy levels to be determined with improved accuracy. We are assessing collaborations at other labs. We have made test runs with a number of cathodes (pure metals and alloys) in the Penning discharge source and selected four iron group (3d) elements, Cr, Mn, Co, and Ni, for further measurements. Cathodes of pure Cr and Co and an alloy of Ni were found to be best. Mn has not nm stably yet, and other cathode geometries or alloys may need to be assessed. Optimum Penning discharge (PD) lamp conditions (buffer gas, gas pressure, and current/voltage) were established for Co, and investigations are underway for Cr and Ni. Definitive measurements for Co await purchase of new mirrors and photomultiplier tubes that will improve signal to noise ratio. Our plan for the next year is to continue evaluating cathodes and operating conditions through March 05, and then to begin definitive measurements. The UV wavelength measurements made at Imperial College with the unique UV FT spectrometer will be complemented by visible and near IR range measurements at NIST in June and/or July. Approximately one year from now, we intend to visit Lund University to collaborate on lifetime measurements that will allow our branching ration data to be used to determine f-values.

Raymond, John C.↗

Atomic ion clock with two ion traps, and method to transfer ions

An atomic ion clock with a first ion trap and a second ion trap, where the second ion trap is of higher order than the first ion trap. In one embodiment, ions may be shuttled back and forth from one ion trap to the other by application of voltage ramps to the electrodes in the ion traps, where microwave interrogation takes place when the ions are in the second ion trap, and fluorescence is induced and measured when the ions are in the first ion trap. In one embodiment, the RF voltages applied to the second ion trap to contain the ions are at a higher frequency than that applied to the first ion trap. Other embodiments are described and claimed.

Prestage, John D.↗

Complex Intergrowths of Non-Stoichiometric Defect-Structured Hibonite and Al-Rich Spinel in an Allende Ca-Al-Rich Inclusion

Hibonite is a primary ultra-refractory mineral occurring in many Ca-Al-rich inclusions (CAIs) and is predicted to condense as the second major phase from a cooling gas of solar composition. Our previous microstructural studies of hibonite in carbonaceous chondrites revealed its unique microstructures consisting of numerous defects that contain Mg-enriched, wider spinel blocks in stoichiometric hibonite. Han, J. et al. [2 items] demonstrated experimentally that defect-structured hibonites can grow easily in the presence of minor Mg and are kinetically more stable than equilibrium assemblages predicted by thermodynamic calculations. However, a thermo-dynamic vs. structural stability of defect-structured hibonite relative to other early-condensed Al-rich phases such as corundum, grossite, and spinel remains poorly constrained. Here, we present the results of atomic resolution TEM (Transmission Electron Microscopy) imaging of hibonite in a compact Type A CAI in the Allende CV3 chondrite in order to better understand the crystal structure and chemistry of defect-structured hibonite and its associated Al-rich phases, especially non-stoichiometric, Al-rich spinel, in the context of the formation of first refractory solids in the early solar nebula.

Han, J.↗

MISSE Results Used for RF Plasma Ground Testing-To-Space-Exposure Correlation for Coated Kapton

The ability to predict the durability of materials in the low Earth orbit (LEO) environment by exposing them in ground-based facilities is important because one can achieve test results sooner, expose more types of materials, and do it much more cost effectively than to test them in flight. However, flight experiments to determine the durability of groups or classes of materials that behave similarly are needed in order to provide correlations of how much time in ground-based facilities represents certain durations in LEO for the material type of interest. An experiment was designed and flown on the Materials International Space Station Experiment (MISSE) 2 (3.95 yr in LEO) and MISSE 4 (1.04 yr in LEO) in order to develop this type of correlation between ground-based RF plasma exposure and LEO exposure for coated Kapton. The experiment consisted of a sample of Kapton H (DuPont) polyimide coated with 1300 of silicon dioxide by Sheldahl, Inc. The samples were exposed to atomic oxygen in a radio frequency (RF) generated atomic oxygen plasma. Mass change was measured for the samples and then the same samples were exposed in flight on MISSE and the mass change was again recorded post-flight. After documentation, the samples were exposed again in the ground-based RF plasma in order to determine if the erosion would be the same as it had been in the same facility pre-flight which would indicate whether or not the sample had been damaged during flight and if the defects on the surface were those that were there preflight. The slopes of the mass change versus fluence plots were then used to develop a correlation factor that can be used to help predict the durability of coated Kapton in ground-based isotropic atomic oxygen plasma systems. This paper describes the experiment and presents the correlation factor results.

Miller, Sharon K. R.↗

Carbon Nanotube Microarrays Grown on Nanoflake Substrates

This innovation consists of a new composition of matter where single-walled carbon nanotubes (SWNTs) are grown in aligned arrays from nanostructured flakes that are coated in Fe catalyst. This method of growth of aligned SWNTs, which can yield well over 400 percent SWNT mass per unit substrate mass, exceeds current yields for entangled SWNT growth. In addition, processing can be performed with minimal wet etching treatments, leaving aligned SWNTs with superior properties over those that exist in entangled mats. The alignment of the nanotubes is similar to that achieved in vertically aligned nanotubes, which are called "carpets. " Because these flakes are grown in a state where they are airborne in a reactor, these flakes, after growing SWNTs, are termed "flying carpets. " These flakes are created in a roll-to-roll evaporator system, where three subsequent evaporations are performed on a 100-ft (approx. =30-m) roll of Mylar. The first layer is composed of a water-soluble "release layer, " which can be a material such as NaCl. After depositing NaCl, the second layer involves 40 nm of supporting layer material . either Al2O3 or MgO. The thickness of the layer can be tuned to synthesize flakes that are larger or smaller than those obtained with a 40-nm deposition. Finally, the third layer consists of a thin Fe catalyst layer with a thickness of 0.5 nm. The thickness of this layer ultimately determines the diameter of SWNT growth, and a layer that is too thick will result in the growth of multiwalled carbon nanotubes instead of single-wall nanotubes. However, between a thickness of 0.5 nm to 1 nm, single-walled carbon nanotubes are known to be the primary constituent. After this three-layer deposition process, the Mylar is rolled through a bath of water, which allows catalyst-coated flakes to detach from the Mylar. The flakes are then collected and dried. The method described here for making such flakes is analogous to that which is used to make birefringent ink that is coated on U.S. currency. After deposition, the growth is carried out in a hot-filament chemical vapor deposition apparatus. A tungsten hot filament placed in the flow of H2 at a temperature greater than 1,600 C creates atomic hydrogen, which serves to reduce the Fe catalyst into a metallic state. The catalyst can now precipitate SWNTs in the presence of growth gases. The gases used for the experiments reported are C2H2, H2O, and H2, at rates of 2, 2, and 400 standard cubic centimeters per minute (sccm), respectively. In order to retain the flakes, a cage is constructed by spot welding stainless steel or copper mesh to form an enclosed area, in which the flakes are placed prior to growth. This allows growth gases and atomic hydrogen to reach the flakes, but does not allow the flakes, which rapidly nucleate SWNTs, to escape from the cage.

Schmidt, Howard K.↗

Upper atmosphere modifications due to chronic discharges of water vapor from space launch vehicle exhausts

The influences of transport, photodissociation, and frequency of injection on the global redistribution of water deposited in the earth's upper atmosphere by repeated launches of large rockets are investigated. Measurable environmental effects of the injected water are found to occur when the mesospheric water vapor mixing ratio exceeds 100 ppmv, which occurs over areas of order 20,000 sq km in connection with possible future Satellite Power System activities. These effects include (1) a 50% reduction in D-region ionization due to screening of L alpha radiation by water; (2) a 50% reduction of D-region ionization as a result of converting NO(+) to water cluster ions which possess more rapid recombination rates; (3) a doubling of OH concentrations below 100 km; and (4) a global doubling of nighttime E-region ionization due to L alpha and L beta radiations geocoronally scattered by atomic hydrogen released by photolysis of H2O. Mixing ratios of 1,000 ppmv necessary for the maintenance of clouds at the mesopause are reached only over areas of order 200 sq km.

Forbes, J. M.↗

Theoretical analysis of isotope effects on ozone formation in oxygen photochemistry

In situ measurements of stratospheric ozone and laboratory studies of ozone production in electric discharge through oxygen have shown previously that ozone containing heavy isotopes of oxygen (O-17, O-18) may be formed preferentially. In order to assess the relevance of thee latter experiment to the stratospheric measurements, detailed understanding of the effect of isotopic substitution on the O3 formation reaction O + O2 + M yields O3 + M and on the O atom exchange reaction O + O2 + O yields O2 + O is necessary. In this work, an estimate of the effect of isotopic substitution on the recombination rate is made by us of approximate dynamical theories and statistical mechanics. The results indicate the possibility of isotope effects on the O + O2 recombination rate of the order of several percent at stratospheric temperatures. In general, recombination reactions involving heavy (mass 49, 50) O3 formation are found to be slower than the reaction leading to normal (mass 48) O3 formation. The calculated isotope effects are sufficiently small that the uncertainties in the model input and the approximations in the dynamical theories will probably make the quantitative nature of these results subject to considerable uncertainty. This isotope effect should not be observable in the atmosphere given the precision of the current measurements but may be crucial in the understanding of the laboratory experiments, where observed enhancements are only of the order of several percent. Possible reasons for this discrepancy between the observed enhancement and predicted depletion are presented.

Kaye, J. A.↗

Molecular Simulations in Astrobiology

One of the main goals of astrobiology is to understand the origin of cellular life. The most direct approach to this problem is to construct laboratory models of protocells. Such efforts, currently underway in the NASA Astrobiology Program, are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures that are capable of performing protocellular functions. Many of these functions, such as importing nutrients, capturing energy and responding to changes in the environment, are carried out by proteins bound to membranes. We use computer simulations to address the following questions about these proteins: (1) How do small proteins self-organize into ordered structures at water-membrane interfaces and insert into membranes? (2) How do peptides form membrane-spanning structures (e.g. channels)? (3) By what mechanisms do such structures perform their functions? The simulations are performed using the molecular dynamics method. In this method, Newton's equations of motion for each atom in the system are solved iteratively. At each time step, the forces exerted on each atom by the remaining atoms are evaluated by dividing them into two parts. Short-range forces are calculated in real space while long-range forces are evaluated in reciprocal space, using a particle-mesh algorithm which is of order O(NInN). With a time step of 2 femtoseconds, problems occurring on multi-nanosecond time scales (10(exp 6)-10(exp 8) time steps) are accessible. To address a broader range of problems, simulations need to be extended by three orders of magnitude, which requires algorithmic improvements and codes scalable to a large number of processors. Work in this direction is in progress. Two series of simulations are discussed. In one series, it is shown that nonpolar peptides, disordered in water, translocate to the nonpolar interior of the membrane and fold into helical structures (see Figure). Once in the membrane, the peptides exhibit orientational flexibility with changing conditions, which may have provided a mechanism of transmitting signals between the protocell and its environment. In another series of simulations, the mechanism by which a simple protein channel efficiently mediates proton transport across membranes was investigated. This process is a key step in cellular bioenergetics. In the channel under study, proton transport is gated by four histidines that occlude the channel pore. The simulations identify the mechanisms by which protons move through the gate.

Pohorille, Andrew↗

Atomic Oxygen Durability Evaluation of a UV Curable Ceramer Protective Coating

The exposure of most silicones to atomic oxygen in low Earth orbit (LEO) results in the oxidative loss of methyl groups with a gradual conversion to oxides of silicon. Typically there is surface shrinkage of oxidized silicone protective coatings which leads to cracking of the partially oxidized brittle surface. Such cracks widen and branch crack with continued atomic oxygen exposure ultimately allowing atomic oxygen to reach any hydrocarbon polymers under the silicone coating. A need exists for a paintable silicone coating that is free from such surface cracking and can be effectively used for protection of polymers and composites in LEO. A new type of silicone based protective coating holding such potential was evaluated for atomic oxygen durability in an RF atomic oxygen plasma exposure facility. The coating consisted of a UV curable inorganic/organic hybrid coating, known as a ceramer, which was fabricated using a methyl substituted polysiloxane binder and nanophase silicon-oxo-clusters derived from sol-gel precursors. The polysiloxane was functionalized with a cycloaliphatic epoxide in order to be cured at ambient temperature via a cationic UV induced curing mechanism. Alkoxy silane groups were also grafted onto the polysiloxane chain, through hydrosilation, in order to form a network with the incorporated silicon-oxo-clusters. The prepared polymer was characterized by H-1 and Si-29 NMR, FT-IR, and electrospray ionization mass spectroscopy. The paper will present the results of atomic oxygen protection ability of thin ceramer coatings on Kapton H as evaluated over a range of atomic oxygen fluence levels.

Banks, Bruce A.↗

Photochemistry of nitrogen in the Martian atmosphere

Models are developed for the photochemistry of a CO2-H2O-N2 atmosphere on Mars. Estimates are given for the concentrations of N, NO, NO2, NO3, N2O5, HNO2, HNO3, and N2O as a function of altitude. Nitric oxide is the most abundant form of odd nitrogen, present with a mixing ratio relative to CO2 of the order of 1 hundred-millionth. Deposition rates for nitrite and nitrate minerals could be as large as 300,000 N equivalent atoms per sq cm/sec under present conditions and may have been higher in the past.

Yung, Y. L.↗

Smoke and dust particles of meteoric origin in the mesosphere and stratosphere

A height profile of ablated mass from meteors is calculated, assuming an incoming mass of 10 to the -16th g/sq cm/s (44 metric tons per day) and the velocity distribution of Southworth and Sekanina, which has a mean of 14.5 km/s. The profile peaks at 84 km. The fluxes of micrometeorites and residual meteoroids are also calculated. The coagulation of the evaporated silicates into 'smoke' particles is then followed by means of a model adapted from a previous study of the stratospheric sulfate layer. Numerous sensitivity tests are made. Features of the results are a sharp cutoff of the particle distribution above 90 km, and a surface area close to 10 to the -9th sq cm/cu cm all the way from 30 to 85 km. Some confirmation is obtained from balloon studies of condensation nuclei, although the various measurements differ greatly. The optical scattering and extinction are shown to be undetectable. Several potential applications are suggested: nucleation of sulfate particles and noctilucent clouds, scavenging of metallic ions and atoms, and perhaps other aeronomical effects. The latter are limited to processes that can be influenced by a collision time of the order of a day.

Hunten, D. M.↗

NASA Wiring for Space Applications Program test results

The objectives of the NASA Wiring for Space Applications program were to investigate the effects of atomic oxygen (AO), ultraviolet (UV) radiation, and AO with UV synergistic effects on wire insulation materials. The AO exposure was on the order of 10(exp 21) atoms/sq cm and the vacuum UV radiation was on the order of 10,000 ESH. The results of these tests are presented in this document

Vaughn, Jason A.↗

Rate constants and temperature dependences for the reactions of hydroxyl radical with several halogenated methanes, ethanes, and propanes by relative rate measurements

Rate constants of 15 OH reactions with halogen-substituted alkanes, C1 to C3, were studied using a relative rate technique in the temperature range 283-403 K. Compounds studied were CHF2Cl (22), CHF2Br (22B), CH3F (41), CH2F2 (32), CHF3 (23), CHClFCCl2F (122a), CHCl2CF3 (123), CHClFCF3 (124), CH3CF3 (143a), CH3CH2F (161), CF3CHFCF3 (227ea), CF3CH2CF3 (236fa), CF3CHFCHF2 (236ea), and CHF2CF2CH2F (245ca). Using CH4, CH3CCl3, CF3CF2H, and C2H6 as primary reference standards (JPL 92-20 rate constants), absolute rate constants are derived. Results are in good agreement with previous experimental results for six of the compounds studied, including CHF2Cl, CHF2Br, CH2F2, CH3CF3, CHFClCFCl2, and CF3CHFCF3. For the remainder the relative rate constants are lower than those derived from experiments in which OH loss was used to measure the reaction rate. Comparisons of the derived Arrhenius A factors with previous literature transition-state calculations show order of magnitude agreement in most cases. However, the experimental A factors show a much closer proportionality to the number of H atoms in the molecule than is evident from the transition state calculations. For most of the compounds studied, an A factor of (8 +/- 3)E-13 cm(exp 3)/(molecule s) per C-H bond is observed. A new measurement of the ratio k(CH3CCl3)/k(CH4) is reported that is in good agreement with previous data.

Hsu, K.-J.↗

Neutral solar wind evolution during solar cycle

The time dependent model of the expected fluxes of the neutral H and He components of the solar wind in the inner heliosphere is discussed. The model takes into account typical temporal evolution of the distribution of neutral interstellar gases (hydrogen and helium) in the interplanetary space due to solar cycle effects and the long term variability of the solar wind. The contribution of different charge exchange processes to the production of particular NSW element is presented. The distribution of the NSW flux is analysed with respect to the heliocentric distance and azimuthal angle from the Interstellar Wind apex. It demonstrates significant, time-dependent upwind/downwind H and He flux asymmentries. It is shown that the most pronounced modulation of the NSW flux is expected around the solar maximum epoch, when a strong decrease of the energetic H flux by two three orders of magnitude at 1 AU is predicted. The computations show that in the inner solar system (approx. 1 AU) energetic helium atoms production in the downwind region usually dominates the production of the hydrogen component This leads to the conclusion that the NSW composition at the Earth orbit strongly depends on time and the position of the observation point in reference to the apex direction.

Bzowski, M.↗

Current Induced Forces on Adsorbates at Conducting Carbon Nanotubes

The problem addressed is force on an impurity due to electric current. In order to determine the size and direction of the force, as well as its dependence on the voltage, LCAO (Linear Combination of Atomic Orbitals) and the Green's Function approach were implemented. The resultant induced mean force was directed outwards in addition to a smaller component in the electron flow direction. At low bias, force is larger for larger radius, and crosses over the opposite trend when increasing the bias. The crossover current is approximately inversely proportional to the radius.

Mingo, N.↗

Optimization of Neutral Atom Imagers

The interactions between plasma structures and neutral atom populations in interplanetary space can be effectively studied with energetic neutral atom imagers. For neutral atoms with energies less than 1 keV, the most efficient detection method that preserves direction and energy information is conversion to negative ions on surfaces. We have examined a variety of surface materials and conversion geometries in order to identify the factors that determine conversion efficiency. For chemically and physically stable surfaces smoothness is of primary importance while properties such as work function have no obvious correlation to conversion efficiency. For the noble metals, tungsten, silicon, and graphite with comparable smoothness, conversion efficiency varies by a factor of two to three. We have also examined the way in which surface conversion efficiency varies with the angle of incidence of the neutral atom and have found that the highest efficiencies are obtained at angles of incidence greater then 80deg. The conversion efficiency of silicon, tungsten and graphite were examined most closely and the energy dependent variation of conversion efficiency measured over a range of incident angles. We have also developed methods for micromachining silicon in order to reduce the volume to surface area over that of a single flat surface and have been able to reduce volume to surface area ratios by up to a factor of 60. With smooth micro-machined surfaces of the optimum geometry, conversion efficiencies can be increased by an order of magnitude over instruments like LENA on the IMAGE spacecraft without increase the instruments mass or volume.

Shappirio, M.↗