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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Determination of the altitude of the nitric acid layer from very high resolution ground-based IR solar spectra

A ground-based solar spectrum at a spectral resolution of about 0.002/cm is used to determine the altitude of the HNO3 layer. The 870/cm spectral region, which is essentially free from absorptions from other species, is employed. The data were obtained with the University of Denver 2.5-m maximum path difference Fourier Transform interferometer spectrometer system. A set of 13 HNO3 vertical profiles were used in the analysis. The best fit obtained for the 'starting' profile (which is centered at 24 km), and the best fit for the profile centered at 26 km are shown. For displacements of greater than 2 km, the discrepancy between the synthetic and observed spectra becomes readily discernible by inspection of the spectra. It is shown that the 'best fit' rms residuals are quite sensitive to the assumed altitude of the HNO3 layer.

Blatherwick, R. D.↗
NASA NTRS1994

Secular trend and seasonal variability of the column abundance of N2O above the Jungfraujoch station determined from IR solar spectra

Infrared solar spectra recorded at the International Scientific Station of the Jungfraujoch (3580 m altitude), Switzerland, in 1950-1951 and from 1984 to 1992 have been analyzed to determine vertical column abundances of nitrous oxide (N2O) above the station. The best fit to the relatively dense set of measurements made between 1984 and 1992 indicates a mean exponential rate of increase equal to 0.36 +/- 0.06%/yr (1 sigma) and a seasonal modulation of 7.2% peak to peak, the minimum occurring at the end of the winter and the maximum in early September. The column abundances for April of the years 1951, 1984, and 1992 were found equal to 3.49 x 10(exp 18), 3.76 x 10(exp 18), and 3.87 x 10(exp 18) molecules/sq cm, respectively; they translate into N2O concentrations at the altitude of the Jungfraujoch equal to 275, 296, and 305 parts per billion by volume. These results indicate that the exponential rate of increase for 1951-1984 was equal to 0.23 +/- 0.04%/yr (1 sigma), thus substantially lower than for the 1984-1992 time interval and that the so-called preindustrial levels of N2O pertained until 1951 with most of the increase in atmospheric N2O occurring thereafter.

Zander, R.↗
NASA NTRS2002

Atmospheric CO2 retrieved from ground-based near IR solar spectra

The column-averaged volume mixing ratio (VMR) of CO2 over Kitt Peak, Arizona, has been retrieved from high-resolution solar absorption spectra obtained with the Fourier transform spectrometer on the McMath telescope. Simultaneous column measurements of CO2 at approx.6300/cm and O2 at approx.7900/cm were ratioed to minimize systematic errors. These column ratios were then scaled by the mean O2 VMR (0.2095) to yield column- averaged vmrs of CO2. These display similar behavior to the Mauna Loa in situ surface measurements. During the period 1977- 1995, the column-averaged mixing ratio of CO2 increased at an avenge rate of 1.49 +/- 0.04 ppmv/yr with seasonal variations of approx.7 ppmv peak-to-peak. Our retrievals demonstrate that this remote technique is capable of precisions better than 0.5%.

Yang, Zhong-Hua↗
NASA NTRS2006

Comet Mineralogy as Inferred from Infrared Spectra of Comets

For most comets, infrared (IR) spectroscopy (remote sensing) is the method through which we diagnose the mineralogy and size distribution of dust in their comae. The shape and contrast of the IR spectral features depend on the particle size: optically active minerals (absorbing of visible and near-IR solar photons) and submicron solid grains or highly porous (> 90% vacuum) grains primarily contribute to the shapes of the observed resonances. Comet mineralogies typically are determined by fitting thermal emission models of ensembles of discrete mineral grains to observed IR spectral energy distributions. The absorptivities (Q-abs) and scattering efficiencies (Q-scat) of the discrete mineral grains are computed using Mie scattering, Maxwell-Garnet mixing, Discrete Dipole Approximation, and Multi-Layered Sphere codes. These techniques when applied to crystalline minerals, specifically olivine (Mg_x, Fe_1-x)2 Si04, x>0.9, require the use of ellipsoidal shaped particles with elongated axial ratios or hollow spheres to produce the shapes of the resonances observed both from comet comae and laboratory samples. The wavelength positions of the distinct resonances from submicron-radii crystalline silicates, as well as their thermal equilibrium temperatures, constrain the crystalline olivine to have a relatively high Mg-content (x>0.9, or Fo>90). Only resonances computed for submicron Mg-rich crystalline olivine and crystalline orthopyroxene match the observed IR spectral features. However, this has led to the interpretation that micron-radii and larger crystals are absent from comet comae. Furthermore, the mass fraction of silicate crystals is dependent upon whether just the submicron portion of the size distribution is being compared or the submicron crystals compare to the aggregates of porous amorphous silicates that are computationally tractable as porous spheres. We will discuss the Deep Impact results as examples of these challenges to interpreting mid-IR spectra of short-period comets.

Wooden, Diane H.↗
NASA NTRS1989

Continuous infrared emission of proto- and young-planetary nebulae

Evolutionary sequences of planetary nebulae (PNe) were calculated beginning from the moment of shell ejection to its dissipation and IR spectra of the outgoing radiation were obtained for different stages of the evolution. To solve the coupled hydrodynamical and radiation transfer problem a computer code was used in which gas and dust are treated as two separate hydrodynamical components. The models, which are calculated for two grain materials (graphite and silicate) have a size distribution of particles based on that found for the interstellar medium. In the computations, the recent optical properties of graphite and astronomical silicate grains tabulated by Draine (1987) were employed. It was assumed that silicate of graphite grains exist below some critical temperature equal to 1300 or to 1700 K, respectively. Infrared model spectra are compared with the IR radiation emitted by some proto- and some young-planetary nebulae. The observed IR continua can be quite well matched with our models with grains having a reasonable size range.

Szczerba, Ryszard↗
NASA NTRS2005

Evidence for Partial Melting in Reflectance Spectra of 433 Eros

The NEAR Shoemaker spacecraft returned near-IR spectra of asteroid 433 Eros at spatial resolutions ranging from 2.5 to 100's km during its year-long orbital mission in 2000. Assuming modified Gaussian absorption bands represent the reflectance spectrum between 0.8-2.5 m we fit the average of all geometrically corrected spectra acquired by the near-IR spectrometer (NIS) with seven absorption bands. Interpretation of the absorption bands in terms of olivine and pyroxene minerals indicates that the surface of Eros contains olivine and two pyroxenes with compositions that are indicative of a partially melted assemblage. This partial melting must have occurred when the asteroid was part of a larger minor planet, prior to break up into its current elongated and irregular shape.

McFadden, L. A.↗
NASA NTRSDate not supplied

Experimental and Theoretical Needs for the JWST Early Release Science Program on Radiative Feedback from Massive Stars (PDRs4ALL): III. A Quantum Chemistry Perspective

Massive stars disrupt their natal molecular cloud material by dissociating molecules, ionizing atoms and molecules, and heating the gas and dust. These processes drive the evolution of interstellar matter in our Galaxy and throughout the Universe from the era of vigorous star formation at z=1-3 to the present day. Much of this interaction occurs in Photo- Dissociation Regions (PDRs) where far-ultraviolet photons of these stars create a largely neutral, but warm region of gas and dust. PDR emission dominates the IR spectra of starforming galaxies and provides a unique tool to study the physical and chemical processes that are relevant for inter- and circumstellar media including diffuse clouds, molecular cloud and protoplanetary disk surfaces, and starburst galaxies. The ERS program ID1288 is dedicated to provide template data as well as data processing and analysis tools for PDRs. To this end, it will observe the Orion Bar, the proto-typical PDR situated in the nearby Orion Nebula, using NIRSpec IFU, MIRI IFU, and NIRCAM and MIRI imaging. These observations will, for the first time, spatially resolve and perform a tomography of the PDR, revealing the individual IR spectral signatures from the key zones and sub-regions within the ionized gas, the PDR, and the molecular cloud. Quantum chemistry can be used to determine molecular data such as ionization potentials, chemical reaction rates, electronic spectra, dissociation energies, channels, and branching ratios, etc. These are often used in synergy with experiment to take advantage of the strengths of each approach. An area of active research is modeling the infrared (IR) emission spectra produced by PAH molecules, including the effects of anharmonicity. This will be important in the interpretation of JWST data which will yield higher-resolution spectral data compared to Spitzer or ISO. Quantum chemistry methods can compute accurate anharmonic IR absorption spectra of PAH molecules up to about 25 C atoms, and the results have been benchmarked against high-resolution experimental spectra. These feed into a quantum Monte Carlo (QMC) approach to generate temperature-dependent anharmonic IR emission spectra and then used to generate fully anharmonic cascade emission IR spectra of PAH molecules -- the very type of spectra that JWST will observe. Work continues to extend these methods to larger PAH molecules. We will discuss the current state of this work, as well as

Timothy Lee↗
NASA NTRS1993

Evolution of luminous IRAS galaxies: Radio imaging

In a recent study of IRAS galaxies' optical morphologies, we found that luminous IR sources lie in the IR color-luminosity plane in groups which separate out by optical spectroscopic type and also by degree of tidal disturbance. We found that the most luminous steep-IR-spectrum sources are generally galaxies in the initial stages of a major tidal interaction. Galaxies with active nuclei were generally found to have flatter IR spectra, to cover a range of IR luminosity, and to be in the later stages of a tidal interaction. We proposed a sequence of events by which luminous IR sources evolve: they start as interacting or merging galaxies, some develop active nuclei, and most undergo extensive star-formation in their central regions. Another way to study these objects and their individual evolution is to study their radio morphologies. Radio emission may arise at a detectable level from supernovae in star-forming regions and/or the appearance of an active nucleus can be accompanied by a nuclear radio source (which may develop extended structure). Therefore, the compact radio structure may trace the evolution of the inner regions of IRAS-luminous sources. If the radio sources are triggered by the interactions, we would expect to find the radio morphology related to the optical 'interactivity' of the systems. Here, we explore using the radio emission of IRAS galaxies as a possible tracer of galaxy evolution. We present and discuss observations of the compact radio morphology of 111 luminous IRAS-selected active galaxies covering a wide range of IR and optical properties.

Neff, S. G.↗
NASA NTRS2012

Exploring the Connection Between Star Formation and AGN Activity in the Local Universe

We study a combined sample of 264 star-forming, 51 composite, and 73 active galaxies using optical spectra from SDSS and mid-infrared (mid-IR) spectra from the Spitzer Infrared Spectrograph. We examine optical and mid-IR spectroscopic diagnostics that probe the amount of star formation and relative energetic con- tributions from star formation and an active galactic nucleus (AGN). Overall we find good agreement between optical and mid-IR diagnostics. Misclassifications of galaxies based on the SDSS spectra are rare despite the presence of dust obscuration. The luminosity of the [NeII] 12.8 micron emission-line is well correlated with the star formation rate (SFR) measured from the SDSS spectra, and this holds for the star forming, composite, and AGN-dominated systems. AGN show a clear excess of [NeIII] 15.6 micron emission relative to star forming and composite systems. We find good qualitative agreement between various parameters that probe the relative contributions of the AGN and star formation, including: the mid-IR spectral slope, the ratio of the [NeV] 14.3 micron to [NeII] micron 12.8 fluxes, the equivalent widths of the 7.7, 11.3, and 17 micron PAH features, and the optical "D" parameter which measures the distance a source lies from the locus of star forming galaxies in the optical BPT emission-line diagnostic diagram. We also consider the behavior of the three individual PAH features by examining how their flux ratios depend upon the degree of AGN-dominance. We find that the PAH 11.3 micron feature is significantly suppressed in the most AGN-dominated systems.

LaMassa, Stephanie M.↗
DOE OSTI2025

Paired Neural Network for Matching Experimental and Predicted Infrared Spectra

Here, we present a novel machine learning (ML)-based scoring technique for determining the similarity between experimental and predicted infrared (IR) spectra for identification purposes. IR spectroscopy is a powerful technique used to identify the molecular structure and composition of a sample by measuring the unique vibrational frequency pattern of the molecule’s functional groups. Molecular identifications are often made by comparing experimental and reference spectra. However, the limited number of reference spectra available in spectral libraries can confound the identification process. Alternative identification procedures rely on in silico techniques to simulate spectra for a wide range of molecules. However, scoring spectral similarity between an experimental query and computationally predicted reference remains a significant challenge. Our proposed ML-based scoring technique overcomes these barriers by accurately and efficiently determining spectral similarity.

Neural Network↗
DOE OSTI2024

Saccharomyces cerevisiae CellWall Remodeling in the Absence of Knr4 and Kre6 Revealed by Nano-FourierTransform Infrared Spectroscopy

The cell wall integrity (CWI) signaling pathway regulates yeast cell wall biosynthesis, cell division, and responses to external stress. The cell wall, comprised of a dense network of chitin, β-1,3- and β-1,6- glucans, and mannoproteins, is very thin, <100 nm. Alterations in cell wall composition may activate the CWI pathway. Saccharomyces cerevisiae, a model yeast, was used to study the role of individual wall components in altering the structure and biophysical properties of the yeast cell wall. Near-field Fourier transform infrared spectroscopy (nano-FT-IR) was used for the first direct, spectrochemical identification of cell wall composition in a background (wild-type) strain and two deletion mutants from the yeast knock-out collection: kre6Δ and knr4Δ. Killer toxin resistant 6 (Kre6) is an integral membrane protein required for biosynthesis of β-1,6-glucan, while Knr4 is a cell signaling protein involved in the control of cell wall biosynthesis, in particular, biosynthesis and deposition of chitin. Complementary spectral data were obtained with far-field (FF)-FT-IR, in transmission, and with attenuated total reflectance (ATR) spectromicroscopy with 3 –10 μm wavelength-dependent spatial resolution. The FF-FT-IR spectra of cells and spectra of isolated cell wall components showed that components of the cell body dominated transmission spectra and were still evident in ATR spectra. In contrast, the nano-FT-IR at ~25 nm spatial resolution could be used to characterize the yeast wall chemical structure. Our results show that the β-1,6-glucan content is decreased in kre6Δ, while all glucan content is decreased in the knr4Δ cell wall. The latter may be thinner than in wild type, since not only are mannan and chitin detectable by nano-FT-IR, but also lipid membranes and protein, indicative of cell interior.

59 BASIC BIOLOGICAL SCIENCES↗