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NASA NTRS1994

An Ab Initio Study of CuCO

Modified coupled-pair functional (MCPF) calculations and coupled cluster singles and doubles calculations, which include a perturbational estimate of the connected triples [CCSD(T)], yield a bent structure for CuCO, thus, supporting the prediction of a nonlinear structure based on density functional (DF) calculations. Our best estimate for the binding energy is 4.9 +/- 1.4 kcal/mol; this is in better agreement with experiment (6.0 +/- 1.2 kcal/mol) than the DF approach which yields a value (19.6 kcal/mol) significantly larger than experiment.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1988

An X-ray and radio study of steep-spectrum radio soruces. I - Four fields from the Clark Lake Observatory 26 MHz survey

A multifrequency study of fields containing steep-spectrum radio sources is presented. New spectral and spatial data are used to determine the locations and optical identifications of steep-spectrum sources which previously had either poor positions or questionable correspondence to known sources. X-ray images from the Einstein Observatory provide estimates of the extent, temperature, density, and thermal pressure of hot gas associated with galaxies and clusters of galaxies. From the equations relating synchrotron emission to inverse Compton scattering of 3 K background photons, lower limits to the average magnetic field strength in the source are derived. For the resolved radio sources of known distance, the minimum nonthermal pressure and the corresponding magnetic field strength are also calculated. For the four fields discussed in this paper, it is found that three out of five steep-spectrum sources are embedded in a cluster atmosphere and two are unidentified. Except for unresolved radio structures associated with cores of galaxies, the estimated thermal pressure is sufficient to confine the radio sources.

Harris, D. E.↗
NASA NTRS1996

Infrared Observations of G0.18-0.04

The Galactic Center H(II) region, G0.18-0.04, the 'Sickle', is located where the nonthermal 'Arc' crosses the Galactic plane. The Sickle appears to be the ionized edge of a dense molecular cloud. The source of ionization has been ascribed to both the interaction of the cloud with the magnetic field of the Arc and to the hot stars in the adjacent cluster, AFGL 2004, also known as the 'Quintuplet Cluster'. This paper addresses the relative locations of the stars, the ionized and molecular gas, and the sources of gas excitation and dust heating. Using NASA's Kuiper Airborne Observatory, we have observed the far infrared forbidden lines of [S(III)] 18.7 and 33.5 micrometers, [Si(II)] 34.8 micrometers, [Ne(III)] 36.0 micrometers, [O(III)] 51.8 and 88.4 micrometers, [N(III)] 57.3 micrometers, [O(II)] 63.2 and 146 micrometers, [C(II)] 158 micrometers, and [N(II)] 205 micrometers and the adjacent continua at 11 positions around G0.18-0.04, including G0.15-0.05, the 'Pistol', in a beamsize of 40 - 60 arcsec. The electron density, the ionic abundances, and the ionization structure of the H(II) region are estimated from the doubly ionized line fluxes. The density and radiation field found in the photodissociation region (PDR) between the H(II) region and the molecular cloud are estimated from the [C(II)] and [O(I)] line fluxes and the far-infrared continuum. We compare the ionization structure and the PDR properties to shell models of H(II) regions with varying distances from their exciting stars. The agreement of observations and models indicates that the hot stars of AFGL 2004 are the likely source of ionization of the Sickle. Additional hot stars are necessary to ionize the more outlying positions. However, because of its low ionization and high PDR radiation field, the Pistol cannot be as close to AFGL 2004 as indicated by its close proximity on the sky. Instead, the Pistol is probably ionized by the luminous blue variable candidate, Pistol Source A. We estimated the extinction to the region from the distribution of the J, H, and K' magnitudes of the stars in the field that we measured from the Anglo-Australian telescope and from the IRAS LRS spectrum of AFGL 2004. The extinction is fairly uniform, with no enhancement from the molecular cloud. The strength of Brackett gamma, the 19-micrometer lines and continuum, and the IRAS 25-micrometer continuum are all consistent with the absence of a dense, foreground molecular cloud. We conclude that the H(II) region is on the near side of the dense cloud.

Simpson, Janet P.↗
NASA NTRS1978

The velocity distribution of interstellar gas observed in strong UV absorption lines

Observations of three strong interstellar UV absorption lines of N I (1199 A), N II (1083 A), and Si III (1206 A) in 47 stars of widely varying distance and a variety of spectral types are analyzed to obtain a velocity distribution function for the interstellar gas. A technique based on the maximum and minimum velocities observed along a line of sight is adopted because of heavy line blending, and results are discussed for both power-law and exponential distribution functions. The expected distribution of radiative-phase supernova remnants (SNRs) in the interstellar medium is calculated as a function of SNR birthrate and of the interstellar density in which they evolve. The results are combined with observed distance estimates, and it is shown that an interstellar density in excess of 0.1 per cu cm would be required to keep the SNRs sufficiently confined so that their cross sections are consistent with the observed number of components. The alternative possibility is considered that SNRs do not enter the radiative phase before escaping from the Galaxy or colliding with neighboring remnants.

Cowie, L. L.↗
NASA NTRS1994

An error covariance model for sea surface topography and velocity derived from TOPEX/POSEIDON altimetry

In order to facilitate the use of satellite-derived sea surface topography and velocity oceanographic models, methodology is presented for deriving the total error covariance and its geographic distribution from TOPEX/POSEIDON measurements. The model is formulated using a parametric model fit to the altimeter range observations. The topography and velocity modeled with spherical harmonic expansions whose coefficients are found through optimal adjustment to the altimeter range residuals using Bayesian statistics. All other parameters, including the orbit, geoid, surface models, and range corrections are provided as unadjusted parameters. The maximum likelihood estimates and errors are derived from the probability density function of the altimeter range residuals conditioned with a priori information. Estimates of model errors for the unadjusted parameters are obtained from the TOPEX/POSEIDON postlaunch verification results and the error covariances for the orbit and the geoid, except for the ocean tides. The error in the ocean tides is modeled, first, as the difference between two global tide models and, second, as the correction to the present tide model, the correction derived from the TOPEX/POSEIDON data. A formal error covariance propagation scheme is used to derive the total error. Our global total error estimate for the TOPEX/POSEIDON topography relative to the geoid for one 10-day period is found tio be 11 cm RMS. When the error in the geoid is removed, thereby providing an estimate of the time dependent error, the uncertainty in the topography is 3.5 cm root mean square (RMS). This level of accuracy is consistent with direct comparisons of TOPEX/POSEIDON altimeter heights with tide gauge measurements at 28 stations. In addition, the error correlation length scales are derived globally in both east-west and north-south directions, which should prove useful for data assimilation. The largest error correlation length scales are found in the tropics. Errors in the velocity field are smallest in midlatitude regions. For both variables the largest errors caused by uncertainty in the geoid. More accurate representations of the geoid await a dedicated geopotential satellite mission. Substantial improvements in the accuracy of ocean tide models are expected in the very near future from research with TOPEX/POSEIDON data.

Tsaoussi, Lucia S.↗
DOE OSTI2022

High pressure phase transition and strength estimate in polycrystalline alumina during laser-driven shock compression

Alumina (Al 2 O 3 ) is an important ceramic material notable for its compressive strength and hardness. It represents one of the major oxide components of the Earth's mantle. Static compression experiments have reported evidence for phase transformations from the trigonal α-corundum phase to the orthorhombic Rh 2 O 3 (II)-type structure at ~90 GPa, and then to the post-perovskite structure at ~130 GPa, but these phases have yet to be directly observed under shock compression. In this work, we describe laser-driven shock compression experiments on polycrystalline alumina conducted at the Matter in Extreme Conditions endstation of the Linac Coherent Light Source. Ultrafast x-ray pulses (50 fs, 10 12 photons/pulse) were used to probe the atomic-level response at different times during shock propagation and subsequent pressure release. At 107 ± 8 GPa on the Hugoniot, we observe diffraction peaks that match the orthorhombic Rh 2 O 3 (II) phase with a density of 5.16 ± 0.03 g cm –3 . Upon unloading, the material transforms back to the α-corundum structure. Upon release to ambient pressure, densities are lower than predicted assuming isentropic release, indicating additional lattice expansion due to plastic work heating. Furthermore, using temperature values calculated from density measurements, we provide an estimate of alumina's strength on release from shock compression.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1995

Formation Of the Giant Planets By Concurrent Accretion Of Solids And Gas

New numerical simulations of the formation of the giant planets are presented, in which for the first time both the gas and planetesimal accretion rates are calculated in a self-consistent, interactive fashion. The simulations combine three elements: 1) three-body accretion cross-sections of solids onto an isolated planetary embryo, 2) a stellar evolution code for the planet's gaseous envelope, and 3) a planetesimal dissolution code within the envelope, used to evaluate the planet's effective capture radius and the energy deposition profile of accreted material. Major assumptions include: The planet is embedded in a disk of gas and small planetesimals with locally uniform initial surface mass density, and planetesimals are not allowed to migrate into or out of the planet's feeding zone. All simulations are characterized by three major phases. During the first phase, the planet's mass consists primarily of solid material. The planetesimal accretion rate, which dominates that of gas, rapidly increases owing to runaway accretion, then decreases as the planet's feeding zone is depleted. During the second phase, both solid and gas accretion rates are small and nearly independent of time. The third phase, marked by runaway gas accretion, starts when the solid and gas masses are about equal. It is engendered by a strong positive feedback on the gas accretion rates, driven by the rapid contraction of the gaseous envelope and the rapid expansion of the outer boundary, which depends on the planet's total mass. The overall evolutionary time scale is generally determined by the length of the second phase. The actual rates at which the giant planets accreted small planetesimals is probably intermediate between the constant rates assumed in most previous studies and the highly variable rates that we have used. Within the context, of the adopted model of planetesimal accretion, the joint constraints of the time scale for dissipation of the solar nebula and the current high-Z masses of the giant planets lead to estimates of the initial surface density (sigma(sub init)) of planetesimals in the outer region of the solar nebula. The results show sigma(sub init) approx. = 10 g/sq cm near Jupiter's orbit and that sigma(sub init) proportional to alpha(sup -2), where alpha is the distance from the Sun. These values are a factor of 3 - 4 times as high as that of the "minimum mass" solar nebula at Jupiter's distance and a factor of 2 - 3 times as high it Saturn's distance. Our estimates for the formation time of Jupiter and Saturn are 1 - 10 million years while those for Uranus fall in the range of 2 - 16 million years. These estimates follow from the properties of our Solar System and do not necessarily apply to giant planets in other planetary systems.

Pollack, James B.↗
NASA NTRS2000

Effects of Conformal Coat on Tin Whisker Growth

A whisker from a tin plated part was blamed for the loss of a commercial spacecraft in 1998. Although pure tin finishes are prohibited by NASA, tin plated parts, such as hybrids, relays and commercial off the shelf (COTS) parts, are something discovered to have been installed in NASA spacecraft. Invariably, the assumption is that a conformal coat will prevent the growth of, or short circuits caused by, tin whiskers. This study measures the effect a Uralane coating has on the initiation and growth of tin whiskers, on the ability of this coating to prevent a tin whisker from emerging from the coating, and on the ability to prevent shorting. A sample of fourteen brass substrates (1 inch by 4 inches by 1/16 inch) were plated by two separate processes: half of the specimens were 'bright' tin plated directly over the brass substrate and half received a copper flash over the brass substrate prior to 'bright' tin plating. Each specimen was coated on one half of the substrate with three bi-directional sprays of Uralane 5750 to a nominal thickness of 25 to 75 micrometers (1 to 3 mils). Several specimens of both types, Cu and non-Cu flashed, were placed in an oven maintained at 50 C as others' work suggests that this is the optimal temperature for whisker formation. The remaining specimens were maintained at room ambient conditions. The surfaces of each specimen have been regularly inspected using both optical (15 to 400x power) and Scanning Electronic Microscopy (SEM). Many types of growths, including needle-like whiskers, first appeared approximately three months after plating on the non-conformally coated sides of all specimens. At four months, 4 to 5 times more growth sites were observed on the coated side; however, the density of growth sites on the non-conformally coated side has since increased rapidly, and now, at one year, is about the same for both sides. The density of growth sites is estimated at 90/sq mm with 30 percent of the sites growing whiskers (needle-like forms) with the potential to cause short circuit bridging. The average growth rate of the needle-like whiskers on the non-conformally coated areas is about 130 micrometers per year with some outliers reaching 800 micrometers after one year. It is more difficult to make growth measurements under the conformal coat. As yet no whiskers have been observed to penetrate through the coating surface, however, a number of tin nodules appear on the verge of breaking through the thinner regions of the coating surface. These domes are developing sharper and sharper tips, as if a growing whisker is about to push its way through a tough skin. Our observations are that the specimens with copper flash show a much lower density of nucleation sites and significantly slower whisker growth compared to the specimens that have only bright tin plating over brass. The specimens kept at room temperature have a higher whisker density than those stored at 50 C. This is an unexpected result and does not agree with the published findings of others. All of the whiskers originate from small surface defects (thin, tiny scratches) that appear over the entire surface of each specimen.

Kadesch, Jong S.↗
NASA NTRS1989

Evidence for an extragalactic component of the far-ultraviolet background and constraints on galaxy evolution for z between 0.1 and 0.6

A sounding rocket experiment that measured the power spectrum of small-scale fluctuations in the far-UV background is described. Evidence is presented that these fluctuations are the integrated light from distant galaxies. If this result is used as an upper limit to the integrated light from galaxies, it provides a constraint on the mean UV luminosity density in the redshift range between 0.1 and 0.6 of L(gal) less than 7 x 10 to the 7th solar luminosities/Mpc. When compared to estimates of the present UV luminosity density, this places a strong constraint on the far-UV evolution of galaxies in the last one-third of a Hubble time. This constraint can be interpreted as a limit on the average past star formation rate relative to the present if dust obscuration was not significantly greater in the past. An upper limit to the average star formation rate is derived.

Martin, Christopher↗
DOE OSTI2020

Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory

Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system. An important exact constraint for the construction of approximations is to recover the correct non-relativistic large-Z expansions for the corresponding energies of neutral atoms with atomic number Z and electron number N = Z, which are correct to leading order (–0.221 Z 5/3 and –0.021 Z ln Z respectively) even in the lowest-rung or local density approximation. We find that hydrogenic densities lead to E x (N,Z) ≈ –0.354 N 2/3 Z (as known before only for Z >> N >> 1) and E c ≈ –0.02 N ln N . These asymptotic estimates are most correct for atomic ions with large N and Z >> N, but we find that they are qualitatively and semi- quantitatively correct even for small N and for N ≈ Z. The large-N asymptotic behavior of the energy is pre-figured in small-N atoms and atomic ions, supporting the argument that widely-predictive approximate density functionals should be designed to recover the correct asymptotics. Here, it is shown that the exact Kohn-Sham correlation energy, when calculated from the pure ground-state wavefunction, should have no contribution proportional to Z in the Z → ∞ limit for any fixed N.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Effects of a Pressurized Water Treatment on Internal Gelation Sol-Gel Microspheres

Based on previous observations that a pressurized water treatment (PWT) prevented cracking of sol-gel microspheres, we investigated the effects of a PWT on microsphere crystallinity, density, and specific surface area (SSA). Results were used to determine how a PWT alters the properties of microspheres upon drying and heating. Microspheres with diameters near 100-200 µm were prepared with and without a PWT and measured using x-ray diffraction (XRD), transmission electron microscopy (TEM), nitrogen adsorption (BET), and pycnometry. Properties of air-dried microspheres processed with and without a PWT are compared. Additionally, the properties of microspheres processed using a PWT are reported after heating to 150 °C, 450 °C, 750 °C, 1050 °C, and 1350 °C. X-ray diffraction measurements indicate that the PWT step improves the crystallinity of air-dried microspheres. XRD data was also used to calculate crystallite size, which increases with higher heat treatment temperatures. TEM images support crystallite size calculations from XRD data and provide an indication of the range of crystallite sizes, particularly for samples processed at higher temperatures where crystallite sizes are too large for estimation using the Scherrer formula. Density and SSA measurements performed as a function of heat treatment temperature indicate that a PWT increases the density of air-dried microspheres, creates a pore network, and that significant densification occurs between 450 - 750 °C. These results may be used to inform decisions on internal gelation flowsheet parameters to optimize the microsphere formation and gelation step, prevent microsphere cracking, and produce microspheres suitable for subsequent coating operations or pressing into pellets.

cerium oxide, TRISO, internal gelation, nuclear fu↗
NASA NTRS1988

The use of a helicopter mounted ranging scatterometer for estimation of extinction and scattering properties of forest canopies-II: Experimental results for high-density aspen

An analytic expression is derived that describes the backscatter power from a semi-infinite plane parallel homogeneous canopy as a function of distance from an airborne radar. This model is fitted to observed data for a high-density aspen canopy by a modification of a technique developed by Tyapkin (1960). This inversion of the model provides unbiased estimates of the canopy extinction and backscattering parameters. An active radar calibrator located underneath the canopy provides an independent method of determining the volume extinction coefficient. The results reported indicate that the coefficients change throughout the year. A comparison of these coefficients with Eom and Funk's (1984) disk model, using measured canopy properties, shows that at C-band frequency, only a part of the scattering and absorption can be attributed to the canopy leaves.

Pitts, David E.↗
NASA NTRS1975

Observations of the interstellar gas with the Copernicus satellite

Results are reviewed for Copernicus far-UV measurements of the absorption lines of H I, D I, H2, and heavier elements in the interstellar gas. Column densities along several lines of sight, as estimated from Ly-alpha absorption-line profiles, confirm that wide differences in the gas density are present in various directions. The measurement of interstellar D I implies an open universe unless alternate sources for this nuclide are found. Analysis of reddened stars for which the line of sight passes through one or more interstellar clouds indicates a depletion of several heavy elements in the gas. It is suggested that the depleted elements may be present in grains rather than molecules and that the intercloud medium may consist primarily of H II with a few small H I clouds.

Morton, D. C.↗
NASA NTRS1977

Analysis of photographic X-ray images

Some techniques used to extract quantitative data from the information contained in photographic images produced by grazing incidence soft X-ray optical systems are described. The discussion is focussed on the analysis of the data returned by the S-054 X-Ray Spectrographic Telescope Experiment on Skylab. The parameters of the instrument and the procedures used for its calibration are described. The technique used to convert photographic density to focal plane X-ray irradiance is outlined. The deconvolution of the telescope point response function from the image data is discussed. Methods of estimating the temperature, pressure, and number density of coronal plasmas are outlined.

Krieger, A. S.↗
NASA NTRS1980

The estimation of the propagation delay through the troposphere from microwave radiometer data

The uncertainity in propagation delay estimates is due primarily to tropospheric water, the total amount and vertical distribution of which is variable. Because water vapor both delays and attenuates microwave signals, the propagation delay, or wet path length, can be estimated from the microwave brightness temperature near the 22.235 GHz transition of water vapor. The data from a total of 240 radiosonde launches taken simultaneously were analyzed. Estimates of brightness temperature at 19 and 22 GHz and wet path length were made from these data. The wet path length in the zenith direction could be estimated from the surface water vapor density to an accuracy of 5 cm for the summer data and 2 cm for winter data. Using the brightness temperatures, the wet path could be estimated to an accuracy of 0.3 cm. Two dual frequency radiometers were refurbished in order to test these techniques. These radiometers were capable of measuring the difference in the brightness temperature at 30 deg elevation angle and at the zenith to an accuracy of about 1 K. In August 1975, 45 radiosondes were launched over an 11 day period. Brightness temperature measurements were made simultaneously at 19 and 22 GHz with the radiometers. The rms error for the estimation of wet path length from surface meteorological parameters was 3.2 cm, and from the radiometer brightness temperatures, 1.5 cm.

Moran, J. M.↗
NASA NTRS1992

Mars surface radiation exposure for solar maximum conditions and 1989 solar proton events

The Langley heavy-ion/nucleon transport code, HZETRN, and the high-energy nucleon transport code, BRYNTRN, are used to predict the propagation of galactic cosmic rays (GCR's) and solar flare protons through the carbon dioxide atmosphere of Mars. Particle fluences and the resulting doses are estimated on the surface of Mars for GCR's during solar maximum conditions and the Aug., Sep., and Oct. 1989 solar proton events. These results extend previously calculated surface estimates for GCR's at solar minimum conditions and the Feb. 1956, Nov. 1960, and Aug. 1972 solar proton events. Surface doses are estimated with both a low-density and a high-density carbon dioxide model of the atmosphere for altitudes of 0, 4, 8, and 12 km above the surface. A solar modulation function is incorporated to estimate the GCR dose variation between solar minimum and maximum conditions over the 11-year solar cycle. By using current Mars mission scenarios, doses to the skin, eye, and blood-forming organs are predicted for short- and long-duration stay times on the Martian surface throughout the solar cycle.

Simonsen, Lisa C.↗
NASA NTRSDate not supplied

Improving Ocean Reanalyses and ENSO Forecasts By Assimilation of Rain Corrected Satellite Sea Surface Salinity Using the GMAO S2S Forecast System

During the past years, we have seen that the La Nina to El Nino transition has had a significant global socio-economic impact and so has been the key focus for improving coupled ocean-atmosphere forecasts. Assimilation of satellite altimetry and subsurface temperature and salinity from (mostly) Argo help to improve the initialization of the thermocline, while satellite Sea Surface Temperature (SST) aids in constraining surface heat-fluxes, leading to improved subseasonal to seasonal forecasts of the coupled system. However, few studies have focused on improving the fresh-water flux and near-surface density and mixing through assimilation of satellite sea surface salinity (SSS). For expediency, the few ocean models that do assimilate SSS bias-correct the satellite SSS data to normalize towards the near-surface Argo data. However, in rainy regions, where buoyant water sits as a fresh lens at the surface, this assumption is likely inadequate. In previous work, we have shown that adjusting SSS data to bulk salinity (Sb) using the Rain Impact Model (RIM) of Santos-Garcia et al., 2014 has improved the near-surface density and mixed layer depth, leading to deeper thermocline and improved the NINO3.4 SST forecasts. Now we utilize the Soil Moisture/Ocean Salinity, Rain Corrected (SMOS_RC) SSS product provided by the Centre Aval de Traitement des données SMOS (CATDS CPDC) to represent the Sb more accurately at first model layer (in our case 5 m). Rather than using a diffusivity model as with RIM, SMOS_RC relies on an observed relationship between the spatial heterogeneity of SMOS SSS and instantaneous rain rate (RR) (Supply et al., 2020). In order to test the impact of SMOS_RC versus SMOS, we compare two reanalyses over the period 2014 to 2021. For both reanalysis experiments, all available along-track absolute dynamic topography and in situ observations are assimilated using the LETKF scheme (Penny et al., 2013). One reanalysis additionally assimilates SMOS SSS data as is (i.e., with the fresh bias), and a separate reanalysis is performed assimilating the SMOS_RC data. We assess the impact for near-surface and subsurface dynamics within ocean reanalyses by validating against observations and explore how SSS assimilation (SMOS versus SMOS_RC) impacts dynamical ENSO forecasts using the NASA GMAO Sub-seasonal to Seasonal coupled forecast system (GEOS S2S-3, Molod et al., 2020, Hackert et al., 2023). We will show that improved SSS estimates and near-surface density and mixing led to more accurate coupled air/sea interaction and better ENSO forecasts.

Eric Hackert↗
NASA NTRS1987

Crosslinking-property relationships in PMR polyimide composites. I

The thermooxidatively-induced crosslinking/ physical and mechanical property relationships of graphite fiber-reinforced PMR polyimide-matrix composites were studied during isothermal exposure of the composite specimens at 288 C in air for periods of up to 5000 hr. The crosslinking densities due to this treatment were estimated on the basis of the kinetic theory of rubber elasticity and shifts in the glass transition temperature T(g). Several linear relationships are noted between crosslink density and physical and mechanical properties: T(g), initial weight loss, and elevated temperature interlaminar shear strength increase with crosslink density, while initial moisture absorption decreases. After achieving the highest crosslink density, several of the composite properties begin to decrease from their maximum values.

Pater, R. H.↗