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At least 109 records · Page 6

An NMR study of microvoids in polymers

An understanding of polymer defect structures, like microvoids in polymeric matrices, is crucial to their fabrication and application potential. In this project guest atoms are introduced into the microvoids in PMR-15 and NMR is used to determine microvoid sizes and locations. Xenon is a relatively inert probe that would normally be found naturally in polymer or in NMR probe materials. There are two NMR active xenon isotopes, Xe-129 and Xe-131. The Xe atom has a very high polarizability, which makes it sensitive to the intracrystalline environment of polymers. Interactions between the Xe atoms and the host matrix perturb the Xe electron cloud, deshielding the nuclei, and thereby expanding the range of the observed NMR chemical shifts. This chemical shift range which may be as large as 5000 ppm, permits subtle structural and chemical effects to be studied with high sensitivity. The Xe(129)-NMR line shape has been found to vary in response to changes in the pore symmetry of the framework hosts line Zeolites and Clathrasil compounds. Before exposure to Xe gas, the PMR-15 samples were dried in a vacuum oven at 150 C for 48 hours. The samples were then exposed to Xe gas at 30 psi for 72 hours and sealed in glass tubes with 1 atmosphere of xenon gas. Xenon gas at 1 atmosphere was used to tune up the spectrometer and to set up the appropriate NMR parameters. A single Xe-129 line at 83.003498 Mhz (with protons at 300 Mhz) was observed for the gas. With the xenon charged PMR-15 samples, a second broader line is observed 190 ppm downfield from the gas line (also observed). The width of the NMR line from the Xe-129 absorbed in the polymer is at least partially due to the distribution of microvoid sizes. From the chemical shift (relative to the gas line) and the line width, we estimate the average void sizes to be 2.74 +/- 0.20 angstroms. Since Xe-129 has such a large chemical shift range (approximately 5000 ppm), we expect the chemical shift anisotropy to contribute to the line width (delta upsilon = 2.5 kHz).

Toy, James↗

Steps toward determination of the size and structure of the broad-line region in active galactic nuclei. 8: An intensive HST, IUE, and ground-based study of NGC 5548

We present the data and initial results from a combined HST/IUE/ground-based spectroscopic monitoring campaign on the Seyfert 1 galaxy NGC 5548 that was undertaken in order to address questions that require both higher temporal resolution and higher signal-to-noise ratios than were obtained in our previous multiwavelength monitoring of this galaxy in 1988-89. IUE spectra were obtained once every two days for a period of 74 days beginning on 14 March 1993. During the last 39 days of this campaign, spectroscopic observations were also made with the HST Faint Object Spectrograph (FOS) on a daily basis. Ground-based observations, consisting of 165 optical spectra and 77 photometric observations (both CCD imaging and aperture photometry), are reported for the period 1992 October to 1993 September, although much of the data are concentrated around the time of the satellite-based program. These data constitute a fifth year of intensive optical monitoring of this galaxy. In this contribution, we describe the acquisition and reduction of all of the satellite and ground-based data obtained in this program. We describe in detail various photometric problems with the FOS and explain how we identified and corrected for various anomalies. During the HST portion of the monitoring campaign, the 1350 A continuum flux is found to have varied by nearly a factor of two. In other wavebands, the continuum shows nearly identical behavior, except that the amplitude of variability is larger at shorter wavelengths, and the continuum light curves appear to show more short time-scale variability at shorter wavelengths. The broad emission lines also vary in flux, with amplitudes that are slightly smaller than the UV continuum variations and with a small time delay relative to the UV continuum. On the basis of simple time-series analysis of the UV and optical continuum and emission line light curves, we find (1) that the ultraviolet and optical continuum variations are virtually simultaneous, with any lag between the 1350 A continuum and the 5100 A continuum amounting to less than about one day; (2) that the variations in the highest ionization lines observed, He II lambda 1640 and N V lambda 1240, lag behind the continuum variations by somewhat less than 2 days, and (3) that the velocity field of the C IV-emitting region is not dominated by radial motion. The results on the C IV velocity field are preliminary and quite uncertain, but there are some weak indications that the emission-line (wings absolute value of Delta upsilon is greater than or equal to 3000 km/s) respond to continuum variations slightly more rapidly than does the core. The optical observations show that the variations in the broad H beta line flux follow the continuum variations with a time lag of around two weeks, about twice the lag for Ly alpha and C IV, as in our previous monitoring campaign on this same galaxy. However, the lags measured for Ly alpha, C IV, and H Beta are each slightly smaller than previously determined. We confirm two trends reported earlier, namely (1) that the UV/optical continuum becomes 'harder' as it gets brighter, and (2) that the highest ionization emission lines have the shortest lags, thus indicating radial ionization stratificatin of a broad-line region that spans over an order of magnitude range in radius.

Korista, K.↗

The Dissociative Recombination of OH(+)

Theoretical quantum chemical calculations of the cross sections and rates for the dissociative recombination of the upsilon = 0 level of the ground state of OH(+) show that recombination occurs primarily along the 2 (2)Pi diabatic route. The products are 0((1)D) and a hot H atom with 6.1 eV kinetic energy. The coupling to the resonances is very small and the indirect recombination mechanism plays only a minor role. The recommended value for the rate coefficient is (6.3 +/- 0.7) x 10(exp -9)x (T(e)/1300)(exp -0.48) cu.cm/s for 10 less than T(e) less than 1000 K.

Guberman, Steven L.↗

Photochemistry of Triton's Atmosphere and Ionosphere

The photochemistry of 32 neutral and 21 ion species in Triton's atmosphere is considered. Parent species N2, CH4, and CO (with a mixing ratio of 3 x 10(exp -4) in our basic model) sublime from the ice with rates of 40, 208, and 0.3 g/sq cm/b.y., respectively. Chemistry below 50 km is driven mostly by photolysis of methane by the solar and interstellar medium Lyman-alpha photons, producing hydrocarbons C2H4, C2H6, and C2H2 which form haze particles with precipitation rates of 135, 28, and 1.3 g/sq cm/b.y., respectively. Some processes are discussed which increase the production of HCN (by an order of magnitude to a value of 29 g/sq cm/b.y.) and involve indirect photolysis of N2 by neutrals. Reanalysis of the measured methane profiles gives an eddy diffusion coefficient K = 4 x 10(exp 3)sq cm/s above the tropopause and a more accurate methane number density near the surface, (3.1 +/- 0.8)x IO(exp 11)/cu cm. Chemistry above 200 km is driven by the solar EUV radiation (lambda less than 1000 A) and by precipitation of magnetospheric electrons with a total energy input of 10(exp 8) W (based on thermal balance calculations). The most abundant photochemical species are N, H2, H, 0, and C. They escape with the total rates of 7.7 x 10(exp 24)/ s, 4.5 x 10(exp 25)/s, 2.4 x 10(exp 25)/s, 4.4 x 10(exp 22)/s, and 1.1 x 10(exp 24), respectively. Atomic species are transported to a region of 50-200 km and drive the chemistry there. Ionospheric chemistry explains the formation of an E region at 150-240 km with HCO(+) as a major ion, and of an F region above 240 km with a peak at 320 km and C(+) as a major ion. The ionosphere above 500 km consists of almost equal densities of C(+) and N(+) ions. The model profiles agree with the measured atomic nitrogen and electron density profiles. A number of other models with varying rate coefficients of some reactions, differing properties of the haze particles (chemically passive or active), etc., were developed. These models show that there are four basic unknown values which have strong impacts on the composition and structure of the atmosphere and ionosphere. These values and their plausible ranges are the CO mixing ratio f(sub co) = 10(exp -4) - 10(exp -3), the magnetospheric electron energy input (1 +/- 0.5) x 10(exp 8) W, the rate coefficient of charge-exchange reaction N2(+) + C(kappa) = 10(exp -11) - 10(exp -10)cu cm/s, and the ion escape velocity upsilon(sub i) approx. equals 150 cm/s.

Krasnopolsky, Vladimir A.↗

Polarized Nuclei in a Simple Mirror Fusion Reactor

The possibility of enhancing the ratio of output to input power Q in a simple mirror machine by polarizing Deuterium-Tritium (D- T) nuclei is evaluated. Taking the Livermore mirror reference design mirror ratio of 6.54, the expected sin(sup 2) upsilon angular distribution of fusion decay products reduces immediate losses of alpha particles to the loss cone by 7.6% and alpha-ion scattering losses by approx. 50%. Based on these findings, alpha- particle confinement times for a polarized plasma should therefore be 1.11 times greater than for isotropic nuclei. Coupling this enhanced alpha-particle heating with the expected greater than 50% D- T reaction cross section, a corresponding power ratio for polarized nuclei, Q(sub polarized), is found to be 1.63 times greater than the classical unpolarized value Q(sub classical). The effects of this increase in Q are assessed for the simple mirror.

Noever, David A.↗

High Resolution UV Spectroscopy of H2 and N2 Applied to Observations of the Planets by Spacecraft

The next generation of high resolution UV imaging spacecraft are being prepared for studying the airglow and aurora of the Earth, the other terrestrial planets and the Jovian planets. To keep pace with these technological improvements we have developed a laboratory program to provide electron impact collision cross sections of the major molecular planetary gases (H2, N2, CO2, O2, and CO). Spectra under optically thin conditions have been measured with a high resolution (lambda/delta(lambda) = 50000) UV spectrometer in tandem with electron impact collision chamber. High resolution spectra of the Lyman and Wemer band systems of H2 have been obtained and modeled. Synthetic spectral intensities based on the J-dependent transition probabilities that include ro-vibronic perturbations are in very good agreement with experimental intensities. The kinetic energy distribution of H(2p,3p) atoms resulting from electron impact dissociation of H2 has been measured. The distribution is based on the first measurement of the H Lyman-alpha (H L(alpha)) and H Lyman-beta (H L(beta)) emission line Doppler profiles. Electron impact dissociation of H2 is believed to be one of the major mechanisms leading to the observed wide profile of H L-alpha from Jupiter aurora by the Hubble Space Telescope (HST). Analysis of the deconvolved line profile of H L-alpha reveals the existence of a narrow line peak (40 mA FWHM) and a broad pedestal base (240 mA FWHM). The band strengths of the electron excited N2 (C(sup 3) Pi(sub(upsilon) - B(sup 3)Pi(sub g)) second positive system have been measured in the middle ultraviolet. We report a quantitative measurement of the predissociation fraction 0.15 +/- 01(sup .045, sub .01) at 300 K in the N2 c'(sub )4 (1)sigma(sup +, sub g) - x(1)sigma(sup +, sub g)(00) band, with an experimental determination of rotational line strengths to be used to understand N2 EUV emission from Titan, Triton and the Earth.

Ajello, J.↗

Recent Developments in Quantum-Well Infrared Photodetectors

Intrinsic infrared (IR) detectors in the long wavelength range (8-20 Am) are based on an optically excited interband transition, which promotes an electron across the band gap (E(sub g)) from the valence band to the conduction band as shown. These photoelectrons can be collected efficiently, thereby producing a photocurrent in the external circuit. Since the incoming photon has to promote an electron from the valence band to the conduction band, the energy of the photon (h(sub upsilon)) must be higher than the E(sub g) of the photosensitive material. Therefore, the spectral response of the detectors can be controlled by controlling the E(sub g) of the photosensitive material. Examples for such materials are Hg(1-x), Cd(x), Te, and Pb(1-x), Sn(x), Te, in which the energy gap can be controlled by varying x. This means detection of very-long-wavelength IR radiation up to 20 microns requires small band gaps down to 62 meV. It is well known that these low band gap materials, characterized by weak bonding and low melting points, are more difficult to grow and process than large-band gap semiconductors such as GaAs. These difficulties motivate the exploration of utilizing the intersub-band transitions in multiquantum well (MQW) structures made of more refractory large-band gap semiconductors. The idea of using MQW structures to detect IR radiation can be explained by using the basic principles of quantum mechanics. The quantum well is equivalent to the well-known particle in a box problem in quantum mechanics, which can be solved by the time independent Schroudiner equation.

Gunapala, S. D.↗

Multitaper Spectral Analysis and Wavelet Denoising Applied to Helioseismic Data

Estimates of solar normal mode frequencies from helioseismic observations can be improved by using Multitaper Spectral Analysis (MTSA) to estimate spectra from the time series, then using wavelet denoising of the log spectra. MTSA leads to a power spectrum estimate with reduced variance and better leakage properties than the conventional periodogram. Under the assumption of stationarity and mild regularity conditions, the log multitaper spectrum has a statistical distribution that is approximately Gaussian, so wavelet denoising is asymptotically an optimal method to reduce the noise in the estimated spectra. We find that a single m-upsilon spectrum benefits greatly from MTSA followed by wavelet denoising, and that wavelet denoising by itself can be used to improve m-averaged spectra. We compare estimates using two different 5-taper estimates (Stepian and sine tapers) and the periodogram estimate, for GONG time series at selected angular degrees l. We compare those three spectra with and without wavelet-denoising, both visually, and in terms of the mode parameters estimated from the pre-processed spectra using the GONG peak-fitting algorithm. The two multitaper estimates give equivalent results. The number of modes fitted well by the GONG algorithm is 20% to 60% larger (depending on l and the temporal frequency) when applied to the multitaper estimates than when applied to the periodogram. The estimated mode parameters (frequency, amplitude and width) are comparable for the three power spectrum estimates, except for modes with very small mode widths (a few frequency bins), where the multitaper spectra broadened the modest compared with the periodogram. We tested the influence of the number of tapers used and found that narrow modes at low n values are broadened to the extent that they can no longer be fit if the number of tapers is too large. For helioseismic time series of this length and temporal resolution, the optimal number of tapers is less than 10.

Komm, R. W.↗

Interstellar Broadening of Images in the Gravitational Lens Pks 1830-211

The remarkably strong radio gravitational lens PKS 1830-211 consists of a one arcsecond diameter Einstein ring with two bright compact (milliarcsecond) components located on opposite sides of the ring. We have obtained 22 GHz VLBA data on this source to determine the intrinsic angular sizes of the compact components. Previous VLBI observations at lower frequencies indicate that the brightness temperatures of these components are significantly lower than 10(exp 10) K (Jauncey, et al. 1991), less than is typical for compact synchrotron radio sources and less than is implied by the short timescales of flux density variations. A possible explanation is that interstellar scattering is broadening the apparent angular size of the source and thereby reducing the observed brightness temperature. Our VLBA data support this hypothesis. At 22 GHz the measured brightness temperature is at least 10(exp 11) K, and the deconvolved 2 size of the core in the southwest compact component is proportional to upsilon(sup -2) between 1.7 and 22 GHz. VLBI observations at still higher frequencies should be unaffected by interstellar scattering.

Jones, D. L.↗

Infrared Measurements of Atmospheric Ethane (C2H6) From Aircraft and Ground-Based Solar Absorption Spectra in the 3000/ cm Region

A number or prominent Q-branches or the upsilon(sub 7) band or C2H6 have been identified near 3000/ cm in aircraft and ground-based infrared solar absorption spectra. The aircraft spectra provide the column amount above 12 km at various altitudes. The column amount is strongly correlated with tropopause height and can be described by a constant mixing ratio of 0.46 ppbv in the upper troposphere and a mixing ratio scale height of 3.9 km above the tropopause. The, ground-based spectra yield a column of 9.0 x 10(exp 15) molecules/sq cm above 2.1 km; combining these results implies a tropospheric mixing ratio of approximately 0.63 ppbv.

Coffey, M. T.↗

An Ab Initio Study of the Low-Lying Doublet States of AgO and AgS

Spectroscopic constants (D(sub o), r(sub e), mu(sub e), T(sub e)) are determined for the doublet states of AgO and AgS below approx. = 30000/cm. Large valence basis sets are employed in conjunction with relativistic effective core potentials (RECPs). Electron correlation is included using the modified coupled-pair functional (MCPF) and multireference configuration interaction (MRCI) methods. The A(sup 2)Sigma(sup +) - X(sup 2)Pi band system is found to occur in the near infrared (approx. = 9000/cm) and to be relatively weak with a radiative lifetime of 900 microns for A(sup 2)Sigma(sup +) (upsilon = 0). The weakly bound C(sup 2)Pi state (our notation), the upper state of the blue system, is found to require high levels of theoretical treatment to determine a quantitatively accurate potential. The red system is assigned as a transition from the C(sup 2)Pi state to the previously unobserved A(sup 2)Sigma(sup +) state. Several additional transitions are identified that should be detectable experimentally. A more limited study is performed for the vertical excitation spectrum of AgS. In addition, a detailed all-electron study of the X(sup 2)Pi and A(sup 2)Sigma(sup +) states of AgO is carried out using large atomic natural orbital (ANO) basis sets. Our best calculated D(sub o) value for AgO is significantly less than the experimental value, which suggests that there may be some systematic error in the experimental determination.

Bauschlicher, Charles W., Jr.↗

Far-Infrared Water Emissions from Magnetohydrodynamic Shock Waves

Nondissociative, magnetohydrodynamic, C-type shock waves are expected to be a prodigious source of far-infrared water emissions in dense interstellar regions. We have constructed a model to calculate the farinfrared H20 line spectra that emerge from such shocks. Using the best estimates currently available for the radiative cooling rate and the degree of ion-neutral coupling within the shocked gas, we modeled the temperature structure of MHD shocks using standard methods in which the charged and neutral particles are treated separately as two weakly coupled, interpenetrating fluids. Then we solved the equations of statistical equilibrium to find the populations of the lowest 179 and 170 rotational states of ortho- and para-H2O We have completed an extensive parameter study to determine the emergent H2O line luminosities as a function of preshock density in the range n(H2) equals 10(exp 4) - 10(sup 6.5)/cc and shock velocity in the range upsilon(sub s) = 5 - 40 km/ s. We find that numerous rotational transitions of water are potentially observable using the Infrared Space Observatory and the Submillimeter Wave Astronomy Satellite and may be used as diagnostics of the shocked gas. We have also computed the rotational and ro-vibrational emissions expected from H2, CO, and OH, and we discuss how complementary observations of such emissions may be used to further constrain the shock conditions. In common with previous studies, we come close to matching the observed H2, and high-J CO emissions from the Orion-KL star-forming region on the basis of a single shock model. We present our predictions for the strengths of H2O line emission from the Orion shock, and we show how our results may be scaled to other regions where molecular shocks are likely to be present.

Kaufman, Michael J.↗

Global Dipole Moment Function for the X1 Sigma+ Ground State of CO

We have studied the dipole moment function (DMF) for the X(sup 1)Sigma(sup +) state of CO as a function of the completeness of the one- and n-particle treatments. Our best DMF is obtained using an augmented correlation-consistent quadruple-zeta basis set with external correlation included using the averaged-coupled-pair functional (ACPF) approach from a complete-active-space self-consistent-field zeroth-order reference. The DMF evaluated using the finite-field approach is in far better agreement with the experimentally deduced DMF than all previous theoretical determinations, but systematic differences still remain in the DMF at larger internuclear distances that give rise to significant discrepancies between the theoretical and experimental Einstein coefficients for transitions involving vibrational quantum numbers above about Upsilon=15.

Langhoff, Stephen R.↗

Low-Energy Electron Impact Excitation of the (010) Bending Mode of CO2

Low-energy electron impact excitation of the fundamental modes of CO2 has been extensively studied, both experimentally and theoretically. Much attention has been paid to the virtual state feature in the the (100) mode excitation and the (sup 2)II(sub upsilon) resonance feature around 3.8 eV, which is observable in all three fundamental modes. For the excitation of the (010) mode away from the resonance region, the Born dipole approximation was generally considered adequate. The present study employs the Born dipole approximation to treat the long range interaction and the Schwinger multichannel method for the short range interaction. The roles of the two interaction potentials will be compared.

Huo, Winifred M.↗

Multi-dimensional Upwind Fluctuation Splitting Scheme with Mesh Adaption for Hypersonic Viscous Flow

A multi-dimensional upwind fluctuation splitting scheme is developed and implemented for two-dimensional and axisymmetric formulations of the Navier-Stokes equations on unstructured meshes. Key features of the scheme are the compact stencil, full upwinding, and non-linear discretization which allow for second-order accuracy with enforced positivity. Throughout, the fluctuation splitting scheme is compared to a current state-of-the-art finite volume approach, a second-order, dual mesh upwind flux difference splitting scheme (DMFDSFV), and is shown to produce more accurate results using fewer computer resources for a wide range of test cases. A Blasius flat plate viscous validation case reveals a more accurate upsilon-velocity profile for fluctuation splitting, and the reduced artificial dissipation production is shown relative to DMFDSFV. Remarkably, the fluctuation splitting scheme shows grid converged skin friction coefficients with only five points in the boundary layer for this case. The second half of the report develops a local, compact, anisotropic unstructured mesh adaptation scheme in conjunction with the multi-dimensional upwind solver, exhibiting a characteristic alignment behavior for scalar problems. The adaptation strategy is extended to the two-dimensional and axisymmetric Navier-Stokes equations of motion through the concept of fluctuation minimization.

Wood, William A., III↗

In Hot Pursuit of the Hidden Companion of Carinae: An X-Ray Determination of the Wind Parameters

We present X-ray spectral fits to a recently obtained Chandra grating spectrum of eta Carinae, one of the most massive and powerful stars in the Galaxy and which is strongly suspected to be a colliding wind binary system. Hydrodynamic models of colliding winds are used to generate synthetic X-ray spectra for a range of mass-loss rates and wind velocities. They are then fitted against newly acquired Chandra grating data. We find that due to the low velocity of the primary wind (approximately 500 km per sec), most of the observed X-ray emission appears to arise from the shocked wind of the companion star. We use the duration of the lightcurve minimum to fix the wind momentum ratio at eta = 0.2. We are then able to obtain a good fit to the data by varying the mass-loss rate of the companion and the terminal velocity of its wind. We find that M(sub 2) is approximately 10(exp -5) solar mass per yr and upsilon(sub infinity(sub 2)) is approximately 3000 km per sec. With observationally determined values of approximately 500- 700 km per sec for the velocity of the primary wind, our fit implies a primary mass-loss rate of M(sub 1) approximately 2.5 x 10(exp -4) solar mass per yr. This value is smaller than commonly inferred, although we note that a lower mass-loss rate can reduce some of the problems noted when a value as high as 10(exp -3) solar mass per yr is used. The wind parameters of the companion are indicative of a massive star which may or may not be evolved. The line strengths appear to show slightly sub-solar abundances, although this needs further confirmation. It also appears that the primary star is responsible for the nebula.

Pittard, J. M.↗

The Role of Tides in Known Multi-Planet Systems

The first known extrasolar planet system, upsilon Andromedae, was discovered in 1999. The number of stars known to possess more than one planet has been growing rapidly since then. The dynamical interactions among such planets can be quite strong. These interactions can excite the orbital eccentricities of planets, even planets orbiting very close to their stars. Stellar tides can damp the eccentricities of such close-in planets, removing dynamical energy from the system and ultimately affecting the motions of all of the planets. These and other effects of tides in extrasolar multi-planet systems will be discussed.

Lissauer, Jack J.↗

Study of Extra-Solar Planets with the Advanced Fiber Optic Echelle

This is the final report of NASA Grant NAG5-7505, for 'Study of Extra-solar Planets with the Advanced Fiber Optic Echelle'. This program was funded in response to our proposal submitted under NASA NRA 97-OSS-06, with a total period of performance from June 1, 1998 through Feb 28 2002. Principal Investigator is Robert W. Noyes; co-Investigators are Sylvain G. Korzennik (SAO), Peter Niserison (SAO), and Timothy M. Brown (High Altitude Observatory). Since the start of this program we have carried out more than 30 observing runs, typically of 5 to 7 days duration. We obtained a total of around 2000 usable observations of about 150 stars, where a typical observation consists of 3 exposures of 10 minutes each. Using this data base we detected thc two additional planetary companions to the star Upsilon Andromedae. This detection was made independently of, and essentially simultaneously with, a similar detection by the Berkeley group (Marcy et al): the fact that two data sets were completely independent and gave essentially the same orbital parameters for this three-planet system gave a strong confirmation of this important result. We also extended our previous detection of the planet orbiting Rho Coronae Borealis to get a better determination of its orbital eccentricity: e=0.13 +/- 0.05. We detected a new planet in orbit around the star HD 89744, with orbital period 256 days, semi-major axis 0.88 AU, eccentricity 0.70, and minimum mass m sini = 7.2 m(sub Jup). This discovery is significant because of the very high orbital eccentricity, arid also because HD 89744 has both high metallicity [Fe/H] and at the same time a low [C/Fe] abundance ratio.

Noyes, Robert W.↗