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At least 415 records · Page 23

Molecular cluster theory of CO chemisorption on a nickel /100/ surface

Self-consistent Hartree-Fock-Slater molecular cluster models for the chemisorption of carbon monoxide on a (100) transition metal surface are presented. Energy levels and charge distribution for the CO:Ni5 cluster in C sub 4v symmetry are obtained, and the variation of binding energies with height of the CO molecule above the surface of nickel is studied in detail. Comparison is made with experimental binding energy spectra and with the multiple-scattering results of Batra and Bagus. The redistribution in energy of free-atom valence levels is studied by means of local-densities-of-states diagrams.

Ellis, D. E.↗

A study of filament transition sheath from radio observations

An H-alpha dark filament has been observed at 8, 15 and 22 GHz, and its radio spectrum derived. It is suggested that the filament may be optically thick at radio frequencies and that the observed spectrum may be due to the presence of a transition sheath surrounding the filament. A model is developed for the transition sheath in which the energy radiated away is balanced by the conduction of heat from the corona; the radio observations indicate that little or no thermal energy is conducted into the main body of the filament. The model is compared with ultraviolet observations of filaments.

Rao, A. P.↗

The Solar Optical Telescope /SOT/

The Solar Optical Telescope (SOT) is a 1-m class, high resolution solar telescope which NASA plans to operate on the Shuttle Spacelab during the mid and late 1980's. SOT will provide resolution down to 0.1 arcsec, and can therefore be used to solve many problems of solar atmosphere structure and dynamics. In particular, SOT should provide definite data on (1) the source of the sun's magnetic field, (2) the amount of power in waves generated in the photosphere, (3) the heating of the chromosphere, and (4) the local and global mass and energy balance in the solar transition region. The SOT Scientific Working Group will help plan, develop, and update the overall scientific plan for the SOT, as well as make recommendations with regard to the SOT project, instrumentation optimization, and scientific data management.

Jordan, S. D.↗

High-resolution ultraviolet solar observations from sounding rockets and Spacelab

High spatial (about 1 arcsec) and temporal (20 sec) resolution UV solar spectroscopy has been carried out by the Naval Research Laboratory from sounding rockets since 1975. The High Resolution Telescope and Spectrograph payload, consisting of a 300 mm diameter x 4500 mm focal length Cassegrain telescope and the tandem Woodsworth spectrograph, was used to make the observations. Using this instrument, a multitude of highly energetic phenomena can be observed in the chromosphere, transition zone, and corona. High-resolution photographs of the UV continuum at 1600 A, used to study the fine structure and evolution of the temperature minimum layer, show that because of its strong spatial and temporal intensity fluctuations, the 1600 A continuum emission comes from not only the temperature minimum, but a variety of temperature regimes. Similar spatial and temporal behavior is seen in lower chromospheric lines of Si I. Typical line profiles of the C IV 1550 A line illustrate the fine structure and dynamics of the transition zone; the mass and energy flux balance in this zone is also determined.

Brueckner, G. E.↗

Long-term variations of Cygnus X-1 observed with the HEAO-3 high resolution gamma-ray spectrometer

The HEAO-3 high resolution gamma-ray spectrometer observed Cygnus X-1 for a total of 148 days between Sept. 27, 1979 and June 2, 1980. During this period, an upward and a downward transition of the hard X-ray flux in the 48-300 keV range were observed. The time scales of these transitions were long (20-50 days) compared with previous observation of the same source. The second, downward, transition was anticorrelated with the 1-12 keV flux, a type of behavior observed previously; however, the upward transition was accompanied by an upward transition in the low-energy X-ray flux, a result contrary to previous experience.

Ling, J. C.↗

Acid droplet generation in SRM exhaust clouds

A free energy analysis is applied to the co-condensation/evaporation of H2O and HCl vapors on wettable particles in open air in order to model droplet nucleation in solid rocket motor (SRM) exhaust clouds. Formulations are defined for the free energy change, the drop radius, the saturation ratio, the total number of molecules, and the mean molecular radius in solution, as well as the molecular volume and the concentration range. The free energy release in the phase transition for the AL2O3 nuclei in the SRM exhaust is examined as a function of the HCl molefraction and nucleating particle radius, based on Titan III launch exhaust cloud conditions 90 sec after ignition. The most efficient droplet growth is determined to occur at an HCl molefraction of 0.082 and a particle radius of 0.0000013 cm, i.e. a molality of 5.355.

Dingle, A. N.↗

Optical radiation from the interaction of energetic atoms, ions, electrons, and photons with surfaces

Heavy particle, electron, and UV photon bombardment of solid surfaces has been recently observed to result in the emission of infrared, visible, and ultraviolet radiation. This effect occurs over a wide range of incident projectile energies. Line radiation arising from transitions between discrete atomic or molecular levels may be attributed to the decay of excited particles which have been sputtered or electronically/chemically desorbed from the surface. Broadband continuum radiation, which is also observed, is believed to arise either from fluorescence of the near surface bulk or from the radiative decay of desorbed excited clusters. Spacecraft, in the ambient near Earth environment, are subject to such bombardment. The dynamics of energetic particle and photon beam interactions with surfaces which lead to surface erosion and glow phenomena will be treated. In addition, projected experimental and theoretical studies of oxygen and nitrogen beam surface interactions on materials characteristic of spacecraft surfaces will be discussed.

Tolk, N. H.↗

Low-energy and medium-energy gamma rays from PSR 0531 + 21

Results are presented from the Crab Pulsar PSR 0531 + 21 for energies of 0.3-30 MeV. For energies of 1-30 MeV, the absolute phase and separation of the first and second pulses 12.9 + or - 0.3 ms, widths of the pulses 2.2 + or - 0.5 ms FWHM, and 1.6 + or - 0.4 ms FWHM, ratio of the counts in the second to the first pulse 0.64 + or - 0.33 and ratio of counts in the interpulse region to the total pulsed counts 0.17 + or - 0.30 are compared to te results vor energies, E greater than 50 MeV and their variations with time. Values from the phase plots for E greater than 0.3 MeV are compared with low-energy gamma rays during 1970 through 1980 from several experiments with energies from about 20 to 360 keV. The above suggest different production mechanisms for low- and high-energy gamma rays with a transition at about 1 MeV. Derived fluxes from 0.3 to 30 MeV confirm a previously derived power law.

White, R. S.↗

Stability and transition in supersonic boundary layers

The three-dimensional time-dependent, compressible Navier-Stokes equations are numerically solved by a Fourier-Chebyshev collocation algorithm to study the stability of a Mach 4.5 flow over a flat plate. Several nonlinear direct simulations suggest the existence of a secondary instability which might provide a possible route to transition. Pertinent differences in the energy content of the various Fourier modes between this instability and the more common incompressible K-type instabilities are pointed out.

Erlebacher, Gordon↗

New observations of interstellar organic molecules

Discussed here are new observations of 3-carbon-containing interstellar molecules which play an important role in the chemistry of dense molecular clouds: protonated carbon dioxide, formic acid, and propynal. In 1984 a new oxide of carbon, C3O, was discovered in the interstellar medium (Matthews et al. 1984; Brown et al. 1985). Theoretical models suggest that C3O is produced by dissociative electron recombination with the ion H3C3O+. Although no laboratory data for the branching ratios of such a recombination exist, it seemed to us likely that additional products would include H2C3O. This molecule has more than one isomeric form, but one stable species is propynal (HC2CHO), which had been suggested as a possible interstellar molecule by Winnewisser (1973). In observations at the National Radio Astronomy Observatory 43 m telescope in Green Bank earlier this year, researchers detected a line in the cold cloud TMC-1 which they assign to the 2(0,2)-1(0,1) transition of propynal. The observed line agrees with the laboratory frequency to well within the experimental uncertainty a few parts in 10 to the 7th power. Researchers sought and failed to detect the corresponding 2(1,1)-1(1,0) line, which is understandable given the presence of both a and b components of the electric dipole moment in propynal. The b type transitions will drain population from energy levels with K(sub p) does not equal 0 into the K(sub p) equal 0 stack. If the researchers' assignment is correct, this is the first interstellar detection of propynal. Assuming typical rotational temperatures for TMC-1 and that the line is optically thin, the column density determined is about 5 times 10 to the 12th power cm to the -2nd power, or about three times that for C3O. Formic acid (HCOOH) was the first organic acid to be observed in the interstellar medium, in the Galactic center source Sgr B2. The only other interstellar detection has been recently made in the giant molecular cloud in Orion. As part of the same project that led to the detection of propynal, researchers sought formic acid in the nearby, cold dark clouds TMC-1 and L134N. It is seen only in L134N. This difference between the two clouds appears to be consistent with a model in which the oxygen/carbon ratio is higher in L134N. This would be consistent with the higher abundances for SO and SO2, observed in that cloud, and the higher abundances of many carbon-rich species in TMC-1 (Irvine et al. 1985).

Irvine, W. M.↗

Effect of isotopic substitution on the visible absorption spectrum of ozone

Gas-phase spectra for (O-16)3 and (O-18)3 are examined to consider the electronic states which cause the Chappuis bands. Specifications of the spectrometer and spectra calibrations are given. The results of both a conventional description of the vibrational structure and an examination of the autocorrelation functions are discussed. Transitions to two electronically excited states are the significant features of the isotope shifts. The transitions are characterized by adiabatic energies about 750/cm apart, and the higher energy approaches 16,400/cm. The vibrational structure of the higher state accompanies a relatively simple progression, and the lower state accompanies one isolated band. The autocorrelation analysis shows that for (O-16)3, major recurrences near 31 and 41 fs are found, and longer equivalent times are found for (O-18)3. At longer times, minor recurrences are also found. The results are considered significant for the understanding of the electronic and vibrational structures of the Chappuis bands. Suggestions for future work based on these results are discussed.

Anderson, Stuart M.↗

Numerical simulations of microflare evolution in the solar transition region and corona

Several observers report transient ultraviolet brightenings, often referred to as microflares, in the solar atmosphere. In this paper, the results are presented of a series of one-dimensional numerical simulations examining possible relationships between microflares and the generation of dynamical chromospheric and transition region features. Low-energy and medium-energy microflares eject long-lived cool, dense gas plugs into the corona, with the gas plug traversing the loop apex in the medium energy case. In the case of high-energy microflares, the gas plug is rapidly heated to the temperature of the surrounding corona, and the results resemble the dynamics occurring in standard solar flare thick-target electron beam models.

Sterling, Alphonse C.↗

Quantitative modeling of soil genesis processes

For fine spatial scale simulation, a model is being developed to predict changes in properties over short-, meso-, and long-term time scales within horizons of a given soil profile. Processes that control these changes can be grouped into five major process clusters: (1) abiotic chemical reactions; (2) activities of organisms; (3) energy balance and water phase transitions; (4) hydrologic flows; and (5) particle redistribution. Landscape modeling of soil development is possible using digitized soil maps associated with quantitative soil attribute data in a geographic information system (GIS) framework to which simulation models are applied.

Levine, E. R.↗

Excimer laser produced plasmas in copper wire targets and water droplets

Elastically scattered incident radiation (ESIR) from a copper wire target illuminated by a KrF laser pulse at lambda = 248 nm shows a dinstinct two-peak structure which is dependent on the incident energy. The time required to reach the critical electron density (n(sub c) approximately = 1.8 x 10(exp 22) electrons/cu cm) is estimated at 11 ns based on experimental results. Detailed ESIR characteristics for water have been reported previously by the authors. Initiation of the broadband emission for copper plasma begins at 6.5 +/- 1.45 ns after the arrival of the laser pulse. However, the broadband emission occurs at 11 +/- 0.36 ns for water. For a diatomic substance such as water, the electron energy rapidly dissipates due to dissociation of water molecules, which is absent in a monatomic species such as copper. When the energy falls below the excitation energy of the lowest electron state for water, it becomes a subexcitation electron. Lifetimes of the subexcited electrons to the vibrational states are estimated to be of the order of 10(exp -9) s. In addition, the ionization potential of copper (440-530 nm) is approximately 6 eV, which is about two times smaller than the 13 eV ionization potential reported for water. The higher ionization potential contributes to the longer observed delay time for plasma formation in water. After initiation, a longer time is required for copper plasma to reach its peak value. This time delay in reaching the maximum intensity is attributed to the energy loss during the interband transition in copper.

Song, Kyo-Dong↗

The Calculation of Accurate Metal-Ligand Bond Energies

The optimization of the geometry and calculation of zero-point energies are carried out at the B3LYP level of theory. The bond energies are determined at this level, as well as at the CCSD(T) level using very large basis sets. The successive OH bond energies to the first row transition metal cations are reported. For most systems there has been an experimental determination of the first OH. In general, the CCSD(T) values are in good agreement with experiment. The bonding changes from mostly covalent for the early metals to mostly electrostatic for the late transition metal systems.

Bauschlicher, Charles W.↗

Basic Modeling of the Solar Atmosphere and Spectrum

This grant supported the research and publication of a major 26-page paper in The Astrophysical Journal, by Fontenla, Avrett, & Loeser (2002): 'Energy Balance in the Solar Transition Region. IV. Hydrogen and Helium Mass Flows with Diffusion.' This paper extended our previous modeling of the chromosphere-corona transition region to include cases with particle and mass flows. Inflows and outflows were shown to produce striking changes in the profiles of hydrogen and helium lines. An important conclusion is that line shifts are much less significant than the changes in line intensity and central reversal due to the influence of flows on the excitation and ionization of atoms in the solar atmosphere. This modeling effort at SAO is the only current one being undertaken anywhere to simulate in detail the full range of non-LTE absorption, emission, and scattering processes in the solar atmosphere to account for the entire solar spectrum from radio waves to X-rays. This effort is being continued with internal SAO funding at a relatively slow pace. Further NASA support in the future would yield results of great value for the interpretation of solar observations from NASA spacecraft.

Avrett, Eugene↗

The Global Enery and Water Cycle Experiment Science Strategy

The distribution of water in the atmosphere and at the surface of the Earth is the most influential factor regulating our environment, not only because water is essential for life but also because through phase transitions it is the main energy source that control clouds and radiation and drives the global circulation of the atmosphere.

GEWEX hydrological cycle energy fluxes seasonal-to↗

Dissipation of Turbulence in the Solar Wind

I will describe the first three-dimensional (3-D) dispersion relations and wavenumber spectra of magnetic turbulence in the solar wind at sub-proton scales. The analysis takes advantage of the short separations of the Cluster spacecraft (d/sim approx.200 km) to apply the {it k}-filtering technique to the frequency range where the transition to sub-proton scales occurs. The dispersion diagrams show unambiguously that the cascade is carried by highly oblique Kinetic Alfven Wave with \omega\leq 0.1\omega_{ci} in the plasma rest frame down to k_\perp\rho_i \sim 2. The wavenumber spectra in the direction perpendicular to the mean magnetic field consists of two ranges of scales separated by a breakpoint in the interval [0.4,1] k_\perp \rho_i. Above the breakpoint, the spectra follow the Kolmogorov scaling k_\perp^{-1.7}, consistent with existing theoretical predictions. Below the breakpoint, the spectra steepen to \sim k_\perp^{-4.5}. We conjecture that the turbulence undergoes a {\it transition-range}, where part of energy is dissipated into proton heating via Landau damping, and the remaining energy cascades down to electron scales where electron Landau damping may predominate.

Goldstein, Melvyn L.↗