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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

Materials Data on Mn3Sb2(IO)4 by Materials Project

Mn3Sb2(OI)4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Mn3Sb2(OI)4 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.06 Å. There are two shorter (2.97 Å) and two longer (3.05 Å) Mn–I bond lengths. In the second Mn2+ site, Mn2+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- and four I1- atoms. Both Mn–O bond lengths are 2.07 Å. There are two shorter (2.93 Å) and two longer (3.35 Å) Mn–I bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.06 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mn2+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mn2+ and one Sb3+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three Mn2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Mn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on PtC4S2(IO)2 by Materials Project

PtC4S2(OI)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one PtC4S2(OI)2 ribbon oriented in the (0, 1, 0) direction. Pt2+ is bonded in a square co-planar geometry to two equivalent S2- and two equivalent I1- atoms. Both Pt–S bond lengths are 2.22 Å. Both Pt–I bond lengths are 2.65 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a bent 150 degrees geometry to one C2+ and one S2- atom. The C–C bond length is 1.29 Å. The C–S bond length is 1.60 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one C2+ atom. S2- is bonded in a distorted trigonal planar geometry to one Pt2+, one C2+, and one O2- atom. The S–O bond length is 1.46 Å. O2- is bonded in a single-bond geometry to one S2- and one I1- atom. The O–I bond length is 3.68 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Pt2+ and one O2- atom.

36 MATERIALS SCIENCE↗

Improving tide-estuary representation in MPAS-Ocean (Final Report)

The overarching goal of this research is to produce a skill-assessed tide-estuary representation, including BGC (biogeochemistry) components of the ecosystem, into the MPAS-O global climate modeling system. Specifically, in the original proposal we proposed one-way nesting, into global MPAS-O, of a high-resolution model for TES (tidal and estuary systems) including the coupling of the BGC components. We have completed the proposed tasks during the past 4 years. Specifically, after extensive consultation with the MPAS-O group during the first year, we have decided to go beyond the original proposal and to two-way nest SCHISM into MPAS-O. As a result, SCHISM-CoSiNE (with CoSiNE being the BGC model) is now fully integrated into MPAS-O as a subroutine (more precisely, an analysis member) and can be invoked as MPAS-O is running with two-way exchange of information between the TES and global models (with proper spatial interpolation done on the fly). As originally proposed, we have also developed the new finite-volume (FV) model MPAS-OI (aka ELCIRC-sub) for TES. We have conducted several tests using the coupled MPAS-SCHISM- CoSiNE model and also MPAS-OI for Columbia River, San Francisco Bay and Chesapeake Bay. Four journal publications have been produced so far as the result of the project and 1 is under review (cf. Publication section). With these achievements, we will be ready to conduct fully coupled simulations of TES and global ocean anywhere, as soon as some missing capabilities in MPAS-O (e.g. tides, improved ability to handle the boundary conditions, and streamlining of the global BGC model) are worked out. The significance of the outcome of this project cannot be overstated. It marks the first time, as far as we know, that a global climate model is tightly coupled to a bona fide nearshore and terrestrial model (SCHISM system); in fact SCHISM is the first bona fide compound flooding model that seamlessly covers the coastal ocean, estuaries, rivers and watersheds (Ye et al. 2020; Zhang et al. 2020). The coupled model will reduce the errors and uncertainties of the MPAS-O global climate model system. It also complements and extends on-going E3SM project, as the latter seeks in the long-term to include components required to simulate impacts of sea-level change and storm surge on coastal regions, including wave models and focusing resolution in coastal and storm-track regions, as an important component of the Cryosphere-ocean system. Note that a spectral wave model (the unstructured-grid version of Wave Watch III, aka Wind Wave Model) is already incorporated inside the SCHISM system and is therefore directly accessible in the coupled system.

58 GEOSCIENCES↗

Comparative Genomics Applied to Systematically Assess Pathogenicity Potential in Shiga Toxin-Producing Escherichia coli O145:H28

Shiga toxin-producing Escherichia coli (STEC) O145:H28 can cause severe disease in humans and is a predominant serotype in STEC O145 environmental isolates. Here, comparative genomics was applied to a set of clinical and environmental strains to systematically evaluate the pathogenicity potential in environmental strains. While the core genes-based tree separated all O145:H28 strains from the non O145:H28 reference strains, it failed to segregate environmental strains from the clinical. In contrast, the accessory genes-based tree placed all clinical strains in the same clade regardless of their genotypes or serotypes, apart from the environmental strains. Loss-of-function mutations were common in the virulence genes examined, with a high frequency in genes related to adherence, autotransporters, and the type three secretion system. Distinct differences in pathogenicity islands LEE, OI-122, and OI-57, the acid fitness island, and the tellurite resistance island were detected between the O145:H28 and reference strains. A great amount of genetic variation was detected in O145:H28, which was mainly attributed to deletions, insertions, and gene acquisition at several chromosomal “hot spots”. Finally, our study demonstrated a distinct virulence gene repertoire among the STEC O145:H28 strains originating from the same geographical region and revealed unforeseen contributions of loss-of-function mutations to virulence evolution and genetic diversification in STEC.

59 BASIC BIOLOGICAL SCIENCES↗

Development of space stable thermal control coatings for use on large space vehicles

The development of a large scale manufacturing method for the production of a stable zinc orthotitanate pigment is discussed. Major emphasis was placed on the evaluation of ultraviolet radiation stability tests of pigments derived from coprecipitated and individually precipitated oxalates. Emphasis was also placed on an investigation of the conditions (time and temperature) leading to high reflectance and high optical stability. Paints were formulated in OI-650 and in OI-650G vehicles from pigments which were prepared at various temperatures. Analyses of ultraviolet irradiation test data were conducted regarding optimum pigment preparation parameters and treatment conditions.

Gilligan, J. E.↗

Development of space stable thermal control coatings for use on large space vehicles

The development of a large scale manufacturing method for the production of a stable zinc orthotitanate pigment is discussed. Major emphasis was placed on the evaluation of the radiation stability of Tektronix, Inc. pigments and of the conditions (time and temperature) leading to high reflection and high optical stability. Paints were formulated in OI-650 and in OI-650G vehicles from pigments which were prepared at various temperatures, some of which were chemically treated to remove ZnO. Ultraviolet irradiation tests of these paints were performed, and observations made regarding optimum pigment preparation parameters.

Gilligan, J. E.↗

Spectroscopy of Comet P/Encke in 1980 - 1981

Digital spectroscopic scans of P/Comets Encke, Stephan-Oterma, and Gunn were obtained with a sky-subtraction scanner system. Quantiative fluxes for the cometary emission bands of CN, C3, C2, NH2, and the 'D OI red auroral line are presented for P/Encke. The most straight-forward and model-independent line flux to interpret is the lambda lambda 6300, 6364 forbidden oxygen doublet. After an NH2 blending correction, the oxygen production rate may be directly measured from the Lick small-aperture fluxes. The oxygen production rates increased rapidly with decreasing heliocentric distance for both P/Encke and P/Stephan-Oterma. A rough power-law exponent in r with n = approximately -2.5 describes the change in oxygen production for P/Encke. Compared to the water production rates inferred from IUE satellite spectra showing the lambda 3080 OH band, these oxygen production rates are consistently lower by a factor of 11. This implies a common origin for the two species; H2O is the likely sole OI ID parent.

Spinrad, H.↗

Optimal interpolation and the Kalman filter

The estimation theory of stochastic-dynamic systems is described and used in a numerical study of optimal interpolation. The general form of data assimilation methods is reviewed. The Kalman-Bucy, KB filter, and optimal interpolation (OI) filters are examined for effectiveness in performance as gain matrices using a one-dimensional form of the shallow-water equations. Control runs in the numerical analyses were performed for a ten-day forecast in concert with the OI method. The effects of optimality, initialization, and assimilation were studied. It was found that correct initialization is necessary in order to localize errors, especially near boundary points. Also, the use of small forecast error growth rates over data-sparse areas was determined to offset inaccurate modeling of correlation functions near boundaries.

Cohn, S.↗

Developement of an Optimum Interpolation Analysis Method for the CYBER 205

A state-of-the-art technique to assimilate the diverse observational database obtained during FGGE, and thus create initial conditions for numerical forecasts is described. The GLA optimum interpolation (OI) analysis method analyzes pressure, winds, and temperature at sea level, mixing ratio at six mandatory pressure levels up to 300 mb, and heights and winds at twelve levels up to 50 mb. Conversion to the CYBER 205 required a major re-write of the Amdahl OI code to take advantage of the CYBER vector processing capabilities. Structured programming methods were used to write the programs and this has resulted in a modular, understandable code. Among the contributors to the increased speed of the CYBER code are a vectorized covariance-calculation routine, an extremely fast matrix equation solver, and an innovative data search and sort technique.

Nestler, M. S.↗

Spatial distribution of 6300A emission determined from narrow-band images of Halley's Comet

In March 1986 the Wisconsin dual-etalon Fabry-Perot spectrometer was adapted for use with an intensified CCD imaging detector and good quality images of OI 6300A emission from a 10 arcmin field centered on Halley's comet head were obtained in April and May 1986. The 10 km/sec bandpass was adequate to eliminate spectral contamination from cometary NH2 and, with appropriate Doppler shifts, terrestrial airglow. The observed distribution of OI emission indicates O(sup 1)D production from 2 sources, presumably photodissociation of H2O and OH. Scale lengths are determined for the distributions of these sources in the coma.

Roesler, F. L.↗

Optical image subtraction techniques, 1975-1985

Real- and nonreal-time optical image subtraction (OIS) techniques are reviewed. Real-time OIS techniques include source encoding, polarization modulation, pseudocolor image difference detection, the holographic shear lens technique, and nonlinear optics. Included in the nonreal-time category are speckle diffuser encoding, speckle-pattern encoding, halftone screen encoding, and polarization-shifted encoding. It is concluded that the most useful techniques are the real-time operations. It is noted that some nonreal-time optical techniques can be applied directly while others may be converted into real-time ones through the use of advance real-time spatial light modulators or electrooptic devices.

Liu, Hua-Kuang↗

Independent Orbiter Assessment (IOA): Analysis of the instrumentation subsystem

The results of the Independent Orbiter Assessment (IOA) of the Failure Modes and Effects Analysis (FMEA) and Critical Items List (CIL) are presented. The IOA approach features a top-down analysis of the hardware to determine failure modes, criticality, and potential critical items. To preserve independence, this analysis was accomplished without reliance upon the results contained within the NASA FMEA/CIL documentation. The independent analysis results for the Instrumentation Subsystem are documented. The Instrumentation Subsystem (SS) consists of transducers, signal conditioning equipment, pulse code modulation (PCM) encoding equipment, tape recorders, frequency division multiplexers, and timing equipment. For this analysis, the SS is broken into two major groupings: Operational Instrumentation (OI) equipment and Modular Auxiliary Data System (MADS) equipment. The OI equipment is required to acquire, condition, scale, digitize, interleave/multiplex, format, and distribute operational Orbiter and payload data and voice for display, recording, telemetry, and checkout. It also must provide accurate timing for time critical functions for crew and payload specialist use. The MADS provides additional instrumentation to measure and record selected pressure, temperature, strain, vibration, and event data for post-flight playback and analysis. MADS data is used to assess vehicle responses to the flight environment and to permit correlation of such data from flight to flight. The IOA analysis utilized available SS hardware drawings and schematics for identifying hardware assemblies and components and their interfaces. Criticality for each item was assigned on the basis of the worst-case effect of the failure modes identified.

Howard, B. S.↗

Physical conditions in photodissociation regions: Application to galactic nuclei

Infrared and sub-millimeter observations are used in a simple procedure to determine average physical properties of the neutral interstellar medium in Galactic photodissociation regions as well as in ensembles of clouds which exist in the nuclei of luminous infrared galaxies. The relevant observations include the Infrared Astronomy Satellite (IRAS) infrared continuum measurements, infrared spectroscopy of the fine-structure lines of SiII 35 microns, OI 63 microns, and CII 158 microns, and the 2.6 mm CO (J=1-0) rotational transition. The diagnostic capabilities of the OI 145 microns line is also addressed. Researchers attribute these emission lines as well as the continuum to the atomic/molecular photodissociation region on the surfaces of molecular clouds which are illuminated by strong ultraviolet fields. They use the theoretical photodissociation region models of Tielens and Hollenbach (1985, Ap. J., 291, 722) to construct simple diagrams which utilize line ratios and line to continuum ratios to determine the average gas density n, the average incident far-ultraviolet flux G sub o, and the temperature of the atomic gas T.

Wolfire, M. G.↗

A CCD spectrum and production rates for Comet P/Temple 2

Now that comet P/Tempel 2 has been resurrected as the primary target for the CRAF mission, an analysis is presented of a 20 minute exposure taken Oct. 9, 1988. The comet displays a typical spectrum with no unusual omissions or additions. The comet therefore appears to be quite suitable for detailed spacecraft study as a representative object. Strong emissions by C2, NH2, CN, and OI sup 1 D are exhibited. Compared to the emissions, the continuum is moderately strong but appears somewhat weaker than for P/Halley. Production rates for H2O (from OI sup 1 D) and the parent of C2, NH2, and CN is presented and compared to P/Halley.

Fink, Uwe↗

Simplification of the Kalman filter for meteorological data assimilation

The paper proposes a new statistical method of data assimilation that is based on a simplification of the Kalman filter equations. The forecast error covariance evolution is approximated simply by advecting the mass-error covariance field, deriving the remaining covariances geostrophically, and accounting for external model-error forcing only at the end of each forecast cycle. This greatly reduces the cost of computation of the forecast error covariance. In simulations with a linear, one-dimensional shallow-water model and data generated artificially, the performance of the simplified filter is compared with that of the Kalman filter and the optimal interpolation (OI) method. The simplified filter produces analyses that are nearly optimal, and represents a significant improvement over OI.

Dee, Dick P.↗

Optimum data analysis procedures for Titan 4 and Space Shuttle payload acoustic measurements during lift-off

Analytical expressions have been derived to describe the mean square error in the estimation of the maximum rms value computed from a step-wise (or running) time average of a nonstationary random signal. These analytical expressions have been applied to the problem of selecting the optimum averaging times that will minimize the total mean square errors in estimates of the maximum sound pressure levels measured inside the Titan IV payload fairing (PLF) and the Space Shuttle payload bay (PLB) during lift-off. Based on evaluations of typical Titan IV and Space Shuttle launch data, it has been determined that the optimum averaging times for computing the maximum levels are (1) T (sub o) = 1.14 sec for the maximum overall level, and T(sub oi) = 4.88 f (sub i) (exp -0.2) sec for the maximum 1/3 octave band levels inside the Titan IV PLF, and (2) T (sub o) = 1.65 sec for the maximum overall level, and T (sub oi) = 7.10 f (sub i) (exp -0.2) sec for the maximum 1/3 octave band levels inside the Space Shuttle PLB, where f (sub i) is the 1/3 octave band center frequency. However, the results for both vehicles indicate that the total rms error in the maximum level estimates will be within 25 percent the minimum error for all averaging times within plus or minus 50 percent of the optimum averaging time, so a precise selection of the exact optimum averaging time is not critical. Based on these results, linear averaging times (T) are recommended for computing the maximum sound pressure level during lift-off.

Piersol, Allan G.↗

P/Halley: Spatial distribution and scale lengths for C2, CN, NH2, and H2O

From P/Halley, long slit spectroscopic exposures on 12 dates, extending from Oct. 1985 to May 1986, spatial profiles were obtained for emissions by C2, CN, NH2, and OI ((sup 1)D). Examples of our derived spatial profiles are given. The qualitative trend of the scale lengths for the different species is nicely exemplified in this example. C2 has the longest parent scale length followed by CN and NH2. OI which tracks the parent H2O distribution is quite narrow but slightly wider than the continuum profile which has a center essentially indistinguishable from the stellar seeing disk. Comparison of C2 and CN also shows that C2 is falling off faster in the wings so that the daughter scale length of CN must be larger than that of C2.

Fink, Uwe↗

Infrared spectra of protostellar collapse

Theoretical models of the formation of low mass stars by cloud collapse predict that OI(63 micrometers) and IR rotational lines of CO and H2O dominate the cooling in the freefalling region 10-1000 AU from the protostar. The freefalling gas supersonically hits the protoplanetary disk orbiting the protostar, forming an accretion shock with strong IR emission in rotational lines of H2O and OH, and OI(63 microns). The accretion shock spectra and line profiles depend on the mass flux through the shock and the typical distance r-bar at which the freefalling gas strikes the disk. The line widths are of order the Keplerian speed, or approx. 10(r-bar/10AU)(exp -0.5) km/s, for the accretion shock lines, and less for the lines from the infalling gas. Measurements of the IR line fluxes and profiles from the freefalling gas and the accretion shock diagnoses how a protostar and disk are formed and requires high sensitivity and high spectral and spatial resolving power. SOFIA will be the optimum observatory for many of these lines, although ISO will contribute and the KAO may make a few pioneering detections.

Hollenbach, David J.↗