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Theoretical development and first-principles analysis of strongly correlated systems

A variety of quantum many-body methods have been developed for studying the strongly correlated electron systems. We have also proposed a computationally efficient and accurate approach, named the correlation matrix renormalization (CMR) method, to address the challenges. The initial implementation of the CMR method is designed for molecules which have theoretical advantages, including small size of system, manifest mechanism and strongly correlation effect such as bond breaking process. The theoretic development and benchmark tests of the CMR method are included in this thesis. Meanwhile, ground state total energy is the most important property of electronic calculations. We also investigated an alternative approach to calculate the total energy, and extended this method for magnetic anisotropy energy (MAE) of ferromagnetic materials. In addition, another theoretical tool, dynamical mean- field theory (DMFT) on top of the DFT , has also been used in electronic structure calculations for an Iridium oxide to study the phase transition, which results from an interplay of the d electrons' internal degrees of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Neutron Imaging of Al6061 Prepared by Solid-State Friction Stir Additive Manufacturing

Solid-state Friction Stir Additive Manufacturing has recently gained attention as a result of its capacity to fabricate large-scale parts while preserving the mechanical properties of the feedstock material. However, the correlation between the quality of layer-by-layer bonding of the deposited metal and processing parameters has remained unknown. Neutron imaging techniques, with 90% total transmission per cm, are employed for Al6061 parts fabricated by MELD ® Technology as a non-destructive evaluation approach for the first time to investigate the layer-by-layer structure of a stadium-shaped ingot in different sections. The post-processed results show the fabricated parts with an optimized set of processing parameters are void-free. However, the hydrocarbon-based feedstock lubricant segregates between the layers, which consequently may lead to non-uniform weaker mechanical properties along the build direction and stimulate crack initiation during mechanical loading. The tensile test results show 14% lower strain-to-failure values in alleged contaminated areas in transmission imaging results. Additionally, layer bonding is significantly impacted by hot-on-hot and hot-on-cold layer deposition schemes, especially for larger layer thicknesses.

36 MATERIALS SCIENCE↗

Near-infrared Supernova Ia Distances: Host Galaxy Extinction and Mass-step Corrections Revisited

We present optical and near-infrared (NIR, Y-, J-, H-band) observations of 42 Type Ia supernovae (SNe Ia) discovered by the untargeted intermediate Palomar Transient Factory survey. This new data set covers a broad range of redshifts and host galaxy stellar masses, compared to previous SN Ia efforts in the NIR. We construct a sample, using also literature data at optical and NIR wavelengths, to examine claimed correlations between the host stellar masses and the Hubble diagram residuals. The SN magnitudes are corrected for host galaxy extinction using either a global total-to-selective extinction ratio, R V = 2.0, for all SNe, or a best-fit R V for each SN individually. Unlike previous studies that were based on a narrower range in host stellar mass, we do not find evidence for a "mass step," between the color- and stretch-corrected peak J and H magnitudes for galaxies below and above $\mathrm{log}({M}_{* }/{M}_{\odot })=10$. However, the mass step remains significant (3σ) at optical wavelengths (g, r, i) when using a global R V , but vanishes when each SN is corrected using their individual best-fit R V . Our study confirms the benefits of the NIR SN Ia distance estimates, as these are largely exempted from the empirical corrections dominating the systematic uncertainties in the optical.

79 ASTRONOMY AND ASTROPHYSICS↗

Dependence of Narrow-line Region Sizes on [O III ] Luminosity in Low-redshift Active Galactic Nuclei with Double-peaked Broad Balmer Emission Lines

In this paper, simple but interesting results are reported on the upper limits of narrow-line region (NLR) sizes of a small sample of 38 low-redshift (z < 0.1) active galactic nuclei (AGN) with double-peaked broad emission lines (double-peaked BLAGN), in order to check whether the NLR sizes in type-1 AGN (broad line) and type-2 AGN (narrow line) obey a similar empirical dependence on [O III ] luminosity. In order to correct the inclination effects on projected NLR sizes of type-1 AGN, the accretion disk origin is commonly applied to describe the double-peaked broad Hα line, leading to the determined inclination angles of central disk-like broad-line regions of 38 double-peaked BLAGN. Then, considering the fixed Sloan Digital Sky Survey (SDSS) fiber radius, the upper limits of the NLR sizes of the 38 double-peaked BLAGN can be estimated. Meanwhile, a strong linear correlation between continuum luminosity and [O III ] luminosity is applied to confirm that the [O III ] emissions of the 38 double-peaked BLAGN are totally covered in the SDSS fibers. Considering the reddening-corrected measured [O III ] luminosity, the upper limits of the NLR sizes of the 38 double-peaked BLAGN are within a 99.9999% confidence interval of the expected results from the empirical relation between NLR size and [O III ] luminosity in type-2 AGN. In the current understanding, there are no challenges to the unified model of AGN through the space properties of NLRs.

79 ASTRONOMY AND ASTROPHYSICS↗

Monitoring stratospheric ozone and aerosols using orbiting photoelectric detectors

Application of slightly modified off-the-shelf automatic celestial navigation systems ('star trackers') is considered for the purposes of monitoring variations in the optical depth of the stratospheric aerosol and ozone layers. The basic principle of the technique is to observe stars from an orbiting station as they are occulted by the stratospheric aerosol layer. Since molecular and refraction extinction are directly calculable, total extinction measurements using a dual-sensor (S4 and S20) approach allows us to directly solve for ozone and aerosol extinction and look for correlations between these two parameters. The technique appears promising for remotely monitoring aerosol and ozone optical depth in the 15-25 km region over selected locations and is independently accurate if aerosol composition and relative size distribution are invariant.

Matloff, G. L.↗

Ion beam divergence characteristics of two-grid accelerator systems

The first comprehensive experimental investigation of two-grid accelerator systems is presented. A wide range of geometrical grid parameters and grid set operating conditions were investigated for their effect on ion beam divergence. Ion beam divergence was found to depend most strongly on normalized perveance per hole, grid separation ratio, net-to-total accelerating voltage ratio, and discharge-to-total accelerating voltage ratio variations. The graphical results contained herein provide guidelines for the design of ion accelerator systems. A general ion beam divergence angle correlation was developed to permit approximate beam divergence estimates, at parametric values other than those tested, of present grid set designs. Although argon was the main test gas used in this study, it is shown that the results are applicable to other propellants as well.

Aston, G.↗

KC-135 winglet flight results

Three KC-135 winglet configurations were flight tested for cant/incidence angles of 15 deg/-4 deg, 15 deg/-2 deg, and 0 deg/-4 deg, as well as the basic wing. The flight results for the 15 deg/-4 deg and basic wing configurations confirm the wind tunnel predicted 7% incremental decrease in total drag at cruise conditions. The 15 deg/-4 configuration flight measured wing and winglet pressure distributions, loads, stability and control, flutter, and buffet also correlate well with predicted values. The only unexpected flight results as compared with analytical predictions is a flutter speed decrease for the 0 deg/-4 deg configuration. The 15 deg/-2 deg configuration results show essentially the same incremental drag reduction as the 15 deg/-4 deg configuration; however, the flight loads are approximately 30% higher for the 15 deg/-2 deg configuration. The drag data for the 0 deg/-4 deg configuration show only a flight drag reduction.

Montoya, L. C.↗

Studies on the behavior of ammonia and ammonium salts in the atmosphere (1) - Fractional collection of ammonia gas and particulate ammonium

Methods for the fractional collection of trace amounts of atmospheric ammonia gas and ammonium particles on a two staged glass fiber filter are summarized. A standard glass fiber filter washed with distilled water and dried at 120 to 130 C was used. A second filter was impregnated with a mixture of 3% boric acid and 25% glycerin solution. The blank of glass fiber filters impregnated with a mixture of the above solution was very low for ammonia, i.e. 0.06 micrograms in a filter of 47 mm in diameter. The mean concentrations of ammonia and ammonium in air at Kawasaki, a polluted area, were 7.6 and 2.3 micrograms cu m, and those at Sanriku, an unpolluted area 0.9 and 0.2 micrograms cu m, respectively. Ratios of concentration levels of ammonium to total ammonia in the atmosphere were 0.3 and 0.2 for the polluted and unpolluted areas, respectively. Ammonium salts in air at both areas were not correlated with relative humidity. Variations in time of ammonia concentrations and sources in surrounding areas are also considered.

Kiin, K.↗

The generation mechanism for magnetosheath lion roars

The origin of lion roars, intense electromagnetic whistler-mode waves which occur throughout the magnetosheath, is investigated based on particle and field data obtained on the ISEE satellites. Analysis of the measured magnetic fields, plasma densities and plasma wave intensities during periods of lion roar emission reveals the lion roar bursts to be correlated with decreases in magnetic field intensity, while the plasma density exhibits a strong anticorrelation with the magnetic field variability during the bursts and the total plasma pressure remains essentially constant. Results indicate that the waves can originate by the cyclotron resonant instability with anisotropic magnetosheath electrons whenever the magnetic energy per particle falls to values comparable with the electron thermal energy. Variations in the magnetic energy appear to be associated with the hydromagnetic mirror instability which in turn is excited by a pressure anisotropy in the magnetosheath ion population.

Thorne, R. M.↗

Research on electrical properties of severe thunderstorms in the Great Plains

Techniques, equipment, and results of studies (1978-1980) to determine the relationships between electrical phenomena and the dynamics and precipitation of storms are reported. Doppler and conventional radar, video tapes and movies, and VHF recording devices were used to monitor an area 200 x 100 km, aligned SW to NE. The 23 cm radar and a Doppler radar were employed to acquire radar echoes from lightning. Observations of a squall line, a severe storm, and radar echoes from electrical discharges are described. Positively charged cloud-to-ground lightning was observed during the severe and final stages of severe storms; average lightning rates and total flashes for normal and severe storms are provided. Comparisons of lightning echoes and electric field changes indicated that abrupt increases in radar reflectivity were correlated with return strokes and K-type field changes.

Rust, W. D.↗

Empirical studies of upper atmospheric species

The first month of spin-scan ozone imaging (SOI) data (October 1981) was processed and compared with total ozone mapping spectrometer and ground based data. Short term variations in the ozone field have been revealed using animated sequences of SOI data. High correlations were observed between SOI ozone and upper tropospheric meteorological data. The relationship between ozone and temperature in the stratosphere was investigated by examining Nimbus 4 backscattered ultraviolet ozone and selective chopper radiometer temperature measurements as well as solar Nimbus 7 solar backscattered ultraviolet ozone and stratospheric and mesospheric sounder temperature measurements. Results from these ozone temperature studies were compared with calculations from theoretical 2-D models. All of the lims infrared monitor of the stratosphere data was processed at 10 pressure levels and correlations between various species have been performed. The Venus Atmospheric Drag model was modified taking into account recent investigations on the Venus thermosphere and the resulting model was considered for incorporation into the Venus International Reference Atmosphere.

Nicholson, J.↗

SAS 3 survey of the soft X-ray background

The results of a survey of the soft X-ray sky in the C band (0.10-0.28keV) are reported. The observations were carried out using two independent flow proportional counters on board the SAS 3 X-ray satellite which had a total angular resolution of 2.9 deg FWHM, and a total exposure of 2.2 x 10 to the 4th per sq cm s sr. It is found that C band counting rates were generally inversely correlated with the column density of the neutral hydrogen on all angular scales down to the lowest angular resolution of the detectors. In the region 90-180 deg l and 0-10 deg b, the relation between C-band rates and the column densities of neutral hydrogen was fitted with a residual rms deviation of less than 13 percent by a two-component numerical model of the X-ray background. For the apparent attenuation column density a value of 2.7 x 10 to the 20th per sq cm was obtained. On the basis of a computer simulation of the SAS 3 data, it is shown that the observed clumping of interstellar matter was consistent with the magnitude of spatial fluctuations in the C-band map. When the background rates were subtracted from the survey map, the subsequent map showed foreground emission and absorption features with improved sensitivity and clarity. A series of computer-generated maps incorporating the SAS 3 data is given in an appendix.

Marshall, F. J.↗

Limiting depth of magnetization in cratonic lithosphere

Values of magnetic susceptibility and natural remanent magnetization (NRM) of clino-pyroxene-garnet-plagioclase granulite facies lower crustal xenoliths from a kimberlite in west Africa are correlated to bulk geochemistry and specific gravity. Thermomagnetic and alternating-field demagnetization analyses identify magnetite (Mt) and native iron as the dominant magnetic phases (totaling not more than 0.1 vol pct of the rocks) along with subsidiary sulfides. Oxidation states of the granulites are not greater than MW, observed Mt occurs as rims on coarse (about 1 micron) Fe particles, and inferred single domain-pseudosingle domain Mt may be a result of oxidation of fine-grained Fe. The deepest limit of lithospheric ferromagnetism is 95 km, but a limit of 70 km is most reasonable for the West African Craton and for modeling Magsat anomalies over exposed Precambrian shields.

Toft, Paul B.↗

A higher density VLBI catalog for navigating Magellan and Galileo

The density of radio sources near the ecliptic in the astrometric JPL Very Long Baseline Interferometry (VLBI) catalog has been increased by over 50 percent since 1985. This density increase has been driven by the need for more sources for the VLBI navigation of the Magellan and Galileo spacecraft, but the sources also will be usable for Mars Observer and other future missions. Since the last catalog, including observations made through 1985, was published in 1988, a total of 21 radio sources has been added that fulfill the following criteria: (1) they lie within 10 deg of the ecliptic plane; (2) their correlated flux densities are above 0.2 Jy on at least one of the Deep Space Network intercontinental baselines at both 2.3 and 8.4 GHz; and (3) the source positions are known to better than 5 milliarcseconds (25 nanoradians). The density of such sources in the catalog has been increased from 15.6 per steradian to 25.2 per steradian. Ten more sources have been added that fulfill the last two criteria given above and lie between 10 deg and 20 deg from the ecliptic plane. Analysis shows that there may be approx. 70 more sources with correlated flux densities above 0.2Jy that are within approx. 20 deg of the ecliptic. However, VLBI navigation observations of the new and prospective sources with the 250-kHz bandwidth of the current operational system will require the use of two 70-m antennas in most cases. Including both old and new sources, if two 34-m antennas are used, there will be usable navigation sources within 10 deg of a spacecraft in only 30 percent of the ecliptic, and sources within 20 deg of a spacecraft over 70 percent of the ecliptic.

Ulvestad, J. S.↗

Fluid Phase Separation (FPS) experiment for flight on the shuttle in a Get Away Special (GAS) canister: Design and fabrication

The separation of fluid phases in microgravity environments is of importance to environmental control and life support systems (ECLSS) and materials processing in space. A successful fluid phase separation experiment will demonstrate a proof of concept for the separation technique and add to the knowledge base of material behavior. The phase separation experiment will contain a premixed fluid that will be exposed to a microgravity environment. After the phase separation of the compound has occurred, small samples of each of the species will be taken for analysis on Earth. By correlating the time of separation and the temperature history of the fluid, it will be possible to characterize the process. The phase separation experiment is totally self-contained, with three levels of containment on all fluids, and provides all necessary electrical power and control. The controller regulates the temperature of the fluid and controls data logging and sampling. An astronaut-activated switch will initiate the experiment and an unmaskable interrupt is provided for shutdown. The experiment has been integrated into space available on a manifested Get Away Special (GAS) experiment, CONCAP 2, part of the Consortium for Materials Complex Autonomous Payload (CAP) Program, scheduled for STS 42 in April 1991. Presented here are the design and the production of a fluid phase separation experiment for rapid implementation at low cost.

Source record↗

Design and analysis of seals for extended service life

Space Station Freedom is being developed for a service life of up to thirty years. As a consequence, the design requirements for the seals to be used are unprecedented. Full scale testing to assure the selected seals can satisfy the design requirements are not feasible. As an alternative, a sub-scale test program has been developed by MSFC to calibrate the analysis tools to be used to certify the proposed design. This research has been conducted in support of the MSFC Integrated Seal Test Program. The ultimate objective of this research is to correlate analysis and test results to qualify the analytical tools, which in turn, are to be used to qualify the flight hardware. This research is totally focused on O-rings that are compressed by perpendicular clamping forces. In this type of seal the O-ring is clamped between the sealing surfaces by loads perpendicular to the circular cross section.

Bower, Mark V.↗

Polarimetric backscattering from sea ice

Polarimetric backscattering from sea ice is presented. Theoretical models for backscattering are first presented for various ice types. Then, theoretical results are compared with experimental data for new thin ice, first-year ice, and multi-year ice. Sea ice is modeled as a layer medium containing random scatterers and rough interfaces. For multi-year sea ice with snow cover, the sea ice layer is modeled as an ice background with embedded spheroidal air bubbles and the snow layer as air with ice grains. The hummocky topography on multi-year ice is characterized by a Gaussian distribution which has an averaging effect on backscattering coefficients. First-year sea ice is described by an ice medium hosting ellipsoidal brine inclusions. These inclusions are oriented preferentially in the vertical direction due to the columnar structure of first-year sea ice. Azimuthally, the orientation of the brine pockets are random corresponding to the random c-axes in sea ice, unless the axes are oriented by sea currents. For thin ice in newly opened leads, it has been observed that there exists a thin brine layer with very high salinity on the top surface of the new ice. This brine layer is depicted as a medium with high permittivity which can significantly affect electromagnetic scattering signatures from the lower thin ice layer, with a higher fractional volume of brine inclusions due to higher salinity as compared to thick first-year sea ice. The rough medium interfaces are described as Gaussian rough surfaces characterized by root-mean-square heights and surface correlation lengths. The contribution from rough surface, calculated under the Kirchhoff approximation or small perturbation method, is assumed to be independent from volume scattering. The total loss including absorption and scattering losses in the scattering media is represented by the imaginary part of effective permittivity obtained from the strong fluctuation theory. The polarimetric scattering coefficients for different ice types are then derived under the distorted Born approximation.

Nghiem, S. V.↗

Temperature dependence of Lorentz air-broadening and pressure-shift coefficients of (12)CH4 lines in the 2.3-micron spectral region

High-resolution (0.01/cm) absorption spectra of lean mixtures of CH4 in dry air were recorded with the McMath-Pierce Fourier transform spectrometer (FTS) of the National Solar Observatory on Kitt Peak at various temperatures between 24 and -61 C. The spectra have been analyzed to determine the values at room temperature of pressure-broadened widths and pressure-induced shifts of more than 740 transitions. The temperature dependence of air-broadened widths and pressure-induced shifts was deduced for approx. 370 transitions in the nu(sub 1) + nu(sub 4), nu(sub 3) + nu(sub 4), and nu(sub 2) + nu(sub 3) bands of (12)CH4 located between 4118 and 4615/cm. These results were obtained by analyzing a total of 29 spectra simultaneously using a multi-spectral non-linear least-squares fitting technique. This new technique allowed the determination of correlated spectral line parameters (e.g. intensity and broadening coefficient) better than the procedure of averaging values obtained by fitting the spectra individually. This method also provided a direct determination of the uncertainties in the retrieved parameters due to random errors. For each band analysed in this study the dependence of the various spectral line parameters upon the tetrahedral symmetry species and the rotational quantum numbers of the transitions is also presented.

Devi, V. Malathy↗