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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Carbonate stability in the earth's mantle - A vibrational spectroscopic study of aragonite and dolomite at high pressures and temperatures

The structural changes of aragonite and dolomite taking place at high pressures and temperatures were investigated by measuring the Raman spectra of these materials to pressures of 23 and 28 GPa (generated in a diamond anvil cell), respectively; in addition, the IR spectra of aragonite were measured to 40 GPa. The spectroscopic data demonstrated that, at 300 K, dolomite and aragonite samples were stable to pressures of 28 and 41 GPa, respectively. No phase transitions were observed following heating of aragonite and dolomite to temperatures of 2000 K and 800 K, respectively. The mode Grueneisen parameters indicate that the carbonate group in these two minerals is relatively insensitive to pressure, with the dominant compaction mechanism being the compression of the Ca and Mg polyhedra.

Kraft, Susan↗
NASA NTRS2021

A Comparison of Rest-frame Ultraviolet and Optical Emission-Line Diagnostics in the Lensed Galaxy SDSS J1723+3411 at Redshift z = 1.3293

For the extremely bright lensed galaxy SDSS J1723+3411 at z = 1.3293, we analyze spatially integrated MMT, Keck, and Hubble Space Telescope spectra that fully cover the rest-frame wavelength range of 1400 ̊A to 7200 ̊A. We also analyze near-IR spectra from Gemini that cover Hαfor a portion of the lensed arc. We report fluxes for 42 detected emission lines, and upper limits for an additional22. This galaxy has extreme emission line ratios and high equivalent widths that are characteristic of extreme emission-line galaxies. We compute strong emission line diagnostics from both the rest-frame optical and rest-frame ultraviolet (UV), to constrain physical conditions and test the spectral diagnostics themselves. We tightly determine the nebular physical conditions using the most reliable diagnostics, and then compare to results from other diagnostics. We find disappointing performance from the UV–only diagnostics: they either are unable to measure the metallicity or dramatically under-estimate it; they over-estimate the pressure; and the UV diagnostic of ionization parameter has a strong metallicity dependence in this regime. Based on these results, we suggest that upcoming James Webb Space Telescope(JWST) spectroscopic surveys of galaxies in the reionization epoch should invest the additional integration time to capture the optical [O II] and [O III] emission lines, and not rely solely on the rest-frame UV emission lines. We make available the spectra; they represent one of the highest-quality emission line spectral atlases of star-forming galaxy available beyond the local universe, and will aid planning observations with JWST.

galaxies↗
NASA NTRS2010

Recent Advances in Laboratory Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbons: PAHs in the Far Infrared

Over 25 years of observations and laboratory work have shown that the mid-IR spectra of a majority of astronomical sources are dominated by emission features near 3.3, 6.2, 7.7, and 11.2 microns, which originate in free polycyclic aromatic hydrocarbon (PAH) molecules. PAHs dominate the mid-IR emission from many galactic and extragalactic objects. As such, this material tracks a wide variety of astronomical processes, making this spectrum a powerful probe of the cosmos Apart from bands in the mid-IR, PAHs have bands spanning the Far-IR (FIR) and emission from these FIR features should be present in astronomical sources showing the Mid-IR PAH bands. However, with one exception, the FIR spectral characteristics are known only for a few neutral small PAHs trapped in salt pellets or oils at room temperature, data which is not relevant to astrophysics. Furthermore, since most emitting PAHs responsible for the mid-IR astronomical features are ionized, the absence of any experimental or theoretical PAH ion FIR spectra will make it impossible to correctly interpret the FIR data from these objects. In view of the upcoming Herschel space telescope mission and SOFIA's FIR airborne instrumentation, which will pioneer the FIR region, it is now urgent to obtain PAH FIR spectra. This talk will present an overview recent advances in the laboratory spectroscopy of PAHs, Highlighting the FIR spectroscopy along with some quantum calculations.

Mattioda, Andrew L.↗
NASA NTRS1993

Identification and yield of carbonic acid and formaldehyde in irradiated ices

Carbonic acid, (OH)2CO, was tentatively identified in the IR spectrum of a proton irradiated CO2 + H2O ice mixture. In this report, we present additional evidence for a more definitive identification of (OH)2CO with (1) the infrared spectrum of a residue obtained by proton irradiation of CO2 + D2O ice mixture, and (2) the IR spectra of solid phases of formaldehyde (H2CO), acetone (CH3)2CO, and dimethyl carbonate (OCH3)2CO, which are structurally similar to (OH)2CO. IR characteristics (peak frequencies and complex refractive indices of the compounds in point 2) are also reported. In particular, the integrated absorption coefficients for the C-O band for the compounds in point 2 do not vary by more than 20 percent. Based on these values, we estimate the yields of H2CO and (OH)2CO by proton irradiation or ice mixtures. Both H2CO and (OH)2CO are possible irradiation products of cometary and planetary ices.

Dellorusso, Neil↗
NASA NTRS1981

Low-energy electron effects on tensile modulus and infrared transmission properties of a polypyromellitimide film

Infrared (IR) spectroscopy and tensile modulus testing were used to evaluate the importance of experimental procedure on changes in properties of pyromellitic dianhydride-p,p prime-oxydianiline film exposed to electron radiation. The radiation exposures were accelerated, approximate equivalents to the total dose expected for a 30 year mission in geosynchronous Earth orbit. The change in the tensile modulus depends more on the dose rate and the time interval between exposure and testing than on total dose. The IR data vary with both total dose and dose rate. A threshold dose rate exists below which reversible radiation effects on the IR spectra occur. Above the threshold dose rate, irreversible effects occur with the appearance of a new band. Post-irradiation and in situ IR absorption bands are significantly different. It is suggested that the electron radiation induced metastable, excites molecular states.

Ferl, J. E.↗
NASA NTRS1987

Broad-band properties of the CfA Seyfert Galaxies. II - Infrared to millimeter properties

IR and mm observations of the 48 Seyfert 1 and 2 galaxies (SG1s and SG2s) of the CfA sample (Huchra and Berg, 1987) are reported. Data obtained (1) in the NIR using the 1.55-m reflector at Stewart Observatory and the 3-m IRTF during 1984-1986, (2) in the FIR with IRAS, and (3) at 1.3 mm using the 12-m NRAO telescope at KPNO in June 1984 are presented in extensive tables and graphs and characterized in detail. None of the objects was detected at 1.3 mm, and the IR spectra of the SG2s are found to be significantly steeper (indicating thermal emission) than those of SG1s and QSOs (nonthermal emission). Turnover in the IR emission below 100 microns (in half of the objects detected at three or more IRAS wavelengths) is shown to be consistent with an accretion disk in dust-free SG1s and with unusually warm (35-65 K) dust in SG2s. It is inferred that a 60-100-micron cool excess is masking turnover in the other SGs, so that a general association of SG nuclei with strong star formation can be confirmed.

Edelson, R. A.↗
NASA NTRS1992

Atomic and molecular data for space astronomy - Needs, analysis, and availability; 21st IAU General Assembly, Buenos Aires, Argentina, July 23-Aug. 1, 1991, Selected Papers

The present volume on atomic and molecular spectroscopic data for space astrophysics discusses scientific problems and laboratory data needs associated with the Hubble Space Telescope, atomic data needed for far ultraviolet astronomy with HUT and FUSE and for analysis of EUV and X-ray spectra, and data for observations of interstellar medium with the Hubble Space Telescope. Attention is also given to atomic and molecular data for analysis of IR spectra from ISO and SIRTF, atomic data from the opacity project, sources of atomic spectroscopic data for astrophysics, and summary of current molecular data bases.

Smith, Peter L.↗
NASA NTRSDate not supplied

Ryugu-Like Phyllosilicate Clast from A Giant Cluster IDP of Probable Cometary Origin: Evidence for Material Exchange Between Asteroidal and Cometary Regions

The presence of hydrous minerals in comets is currently an open question. They were commonly produced inside primitive meteorite parent bodies but apparently not inside the active comets that never contained liquid water. Despite examination of hundreds of particles returned from the Jupiter Family comet Wild 2 by the Stardust(SD) spacecraft, no phyllosilicates have yet been found. Near IR spectra obtained by the Rosetta spacecraft of short-period comet 67P Churyumov-Gerasimenko (67P CG) similarly did not reveal the presence of phyllosilicate minerals. IR spectral features in ejecta from comet Temple 1were interpreted as hydrated minerals but this match is controversial. Studies of a giant cluster interplanetary dust particle (IDP) have demonstrated that the IDP has a large number of chemical and physical properties consistent with its derivation from a comet including 1) its porous aggregate morphology similar to fragile aggregate particles imaged from comet 67P CG, 2) an unequilibrated mineral assemblage, 3) mineral isotopic compositions similar to like minerals in comet Wild 2, 4) uncorrelated Fe-Mn ratios of olivines that mimic those from Wild 2, 5) high presolar silicate abundance [8] and 6) Kool grains which are observed in comet Wild 2 but not in chondrites. Our examination of 70+>5 μm fragments from the IDP have shown that it is overwhelmingly composed of anhydrous silicates. We have observed, however, a 5 x 15 μm porous aggregate fragment (LT10), which contains a rare phyllosilicate clast encased in anhydrous mineral and rock fragments. We conducted detailed TEM and O isotopic analyses of this particle to constrain its origin.

D J Joswiak↗
NASA NTRS1981

Stratospheric trace constituent profile retrievals using laser heterodyne radiometer IR limb sensing spectra

A retrieval technique for high resolution IR solar occultation limb sensing data is described for profiling stratospheric trace constituents. Remote measurement of ClO during sunset in the 24-45-km region with a 2-km height resolution is chosen as an example. Two types of instruments are considered: a laser heterodyne radiometer with line resolving spectral resolution and an interferometer spectrometer with a fixed slit width of 0.02/cm. It is pointed out that a multichannel approach is necessary with the heterodyne instrument for improved retrieval accuracy. The error analysis indicates the relative sizes of instrument noise and other sources of error in the retrieval of altitude profiles with high (2-km) vertical resolution.

Majumdar, A. K.↗
NASA NTRS1977

Analysis of torsional spectra of molecules with two internal C3v rotors. IX - The torsional potential functions of isobutene-d0 and -d6

Raman spectra of gaseous isobutene (CH3)2C=CH2 and isobutene-d6 have been recorded between 100 and 500/cm with a resolution of 1/cm, and the far-IR spectra of the same compounds have been recorded over the same frequency range with a resolution of 0.5/cm. Several torsional transitions have been observed for both molecules and these data have been used to determine the torsional potential function based on a semirigid model. Values of average effective barrier were determined for the molecules.

Durig, J. R.↗
DOE OSTI2025

Surface Carboxylate Sensitivity to Electron and Hole Relaxation in Photoexcited Cadmium Sulfide Nanocrystals

Understanding how passivating surface ligands couple to excitonic states in nanocrystal photocatalysts is crucial for controlling nonradiative relaxation pathways which compete with interfacial charge transfer. Here, we report femtosecond transient infrared (IR) spectroscopy to resolve ∼100 fs ligand-exciton coupling between 1S exciton states in oleate-capped cadmium sulfide (CdS) nanocrystals and vibrational modes of surface carboxylates. Differential mid-IR spectra show distinct negative amplitude and positive photoinduced absorption signals at ∼1540 cm –1 (carboxylate asymmetric stretch) and ∼1440 cm –1 (carboxylate symmetric stretch), respectively. Fluence-dependent transient IR measurements reveal that the symmetric stretch is uniquely sensitive to picosecond Auger recombination, while the asymmetric stretch shows no analogous decay. Our results provide direct measurement of femtosecond ligand-exciton coupling in CdS nanocrystals and demonstrate how surface-bound carboxylate ligands serve as carrier-specific reporters of nanocrystal photophysics. Furthermore, these findings offer critical insights for designing and developing predictive models for ligand-mediated strategies in next-generation nanocrystal photocatalysts.

Cadmium sulfide↗
NASA NTRS1989

The 10 micron spectral structure in comets

The 10 micron spectra of comets Halley (1982i), Wilson (1986l), Kohoutek (1973f) and Bradfield (1987s) are presented and compared. The silicate emission profiles of Halley and Bradfield are seen to be remarkably similar in that both contain a sharp break in the spectrum at 11.3 microns. Comet Bradfield does not show the same double peak structure seen in olivine and reported in Comet Halley be Campins and Ryan (1988) and Bregman, et al. (1987). The authors interpret the 11.3 micron signature as being due to olivine-type dust grains with at least some degree of crystallinity. Olivine alone is not enough to reproduce the shape of the 10 micron structure. However, in view of the authors' past success in fitting interstellar dust features with the emissivity profile obtained from amorphous grains produced by laser-vaporizing olivine, this is a very appealing identification. They note that there are significant variations in olivine spectra due to compositional differences, grain size distribution and related grain temperature variations to make the olivine identification tentative. They further tentatively identify the 9.8 micron feature in Halley as being due to either amorphorous olivine or a phyllosilicate (layer lattice). Neither the spectra of Halley, Kohoutek, nor Bradfield exhibited the 12.2 micron feature seen in Comet Wilson, which may prove diagnostic of the composition or thermal history differences between these comets. IR spectra of various mineral samples are discussed in terms of their match to cometary spectra.

Lynch, David K.↗
NASA NTRS1992

Destruction and survival of polycyclic aromatic hydrocarbons in active galaxies

Infrared spectra of dusty galactic environments often contain emission features attributed to polycyclic aromatic hydrocarbons or PAHs, which can be considered to be very small grains or very large molecules. Although IR spectra of starburst galaxies almost always show these emission features, similar spectra of active galaxies are usually featureless. Even in those active galaxies that do exhibit PAH emission, the PAHs still appear to be eradicated from the nuclear region. This dichotomy suggests that PAHs are destroyed by the intense hard radiation field from an AGN. Laboratory experiments show that certain PAHs are, in fact, so effectively destroyed by individual EUV and X-ray photons that they cannot survive even at kiloparsec distances from active nuclei. Regions within active galaxies that do show PAH emission must therefore be shielded from the central X-ray source by a substantial column density of X-ray absorbing gas.

Voit, G. M.↗
NASA NTRS2020

Infrared Band Strengths and Other Properties of Amorphous and Crystalline Dimethyl Ether

Laboratory astrochemists have generated infrared (IR) data for nearly all common classes of organic compounds, but ethers in the solid phase continued to be neglected despite detections of ethers in the interstellar medium by radio astronomers and uncertainty in how extraterrestrial ethers are formed. To address this paucity of data, here we present new mid-IR spectra of amorphous and crystalline dimethyl ether, (CH3)2O, the simplest member of its class. Spectral positions are tabulated and compared to previous results, but more importantly we also report IR band strengths and absorption coefficients, which we have not found in the literature and on which quantitative IR studies depend. Optical constants of amorphous and crystalline dimethyl ether also have been calculated. Some applications are described.

Hudson, Reggie L.↗
NASA NTRS2003

Infrared Spectroscopy of Anhydrous Interplanetary Dust Particles

Infrared (IR) spectroscopy is the primary means of mineralogical analysis of materials outside our solar system. The identity and properties of circumstellar grains are inferred from spectral comparisons between astronomical observations and laboratory data from natural and synthetic materials. These comparisons have been facilitated by the Infrared Space Observatory (ISO), which obtained IR spectra from numerous astrophysical objects over a wide spectral range (out to 50/cm) where crystalline silicates and other phases have distinct features. The anhydrous interplanetary dust particles (IDPs) are particularly important comparison materials because some IDPs contain carbonaceous material with non-solar D/H and N-15/N-14 ratios and amorphous and crystalline silicates with non-solar 0- isotopic ratios, demonstrating that these IDPs contain preserved interstellar material. Here, we report on micro- Fourier transform (FT) IR spectrometry of IDPs, focusing on the inorganic components of primitive IDPs (FTIR spectra from the organic/carbonacecous materials in IDPs are described elsewhere).

Keller, L. P.↗
NASA NTRS1985

Tunable diode laser Stark modulation spectroscopy for rotational assignment of the HNO3 7.5-micron band

The technique of Stark modulation spectroscopy for unraveling and assigning rotationally resolved dense molecular spectra has been employed using a tunable diode laser (TDL) source. Doppler-limited absorption and Stark modulation spectra of the HNO3 7.5-micron band near the 1326/cm band origin are presented with preliminary values of the excited-state rovibrational constants derived from both TDL and Bomem Fourier transform IR spectra.

Webster, C. R.↗
DOE OSTI2025

Atomistic characterization of hydration-dependent fuel cell ionomer nanostructure: validation by vibrational spectroscopy

The development of Nafion alternatives for fuel cells and electrolyzers requires a fundamental understanding of hydration-dependent ion-exchange site acid/base chemistry. We present here reactive force field (ReaxFF) molecular dynamics (MD) simulations of Nafion at varying molar water/ion-exchange-site ratios (λ), which we correlate to our experimental and density functional theory-based vibrational spectra. ReaxFF describes the formation and breaking of covalent bonds, enabling simulations of proton exchange between sulfonic acid/sulfonate groups and water/hydronium. Our MD simulations determine the λ-dependent equilibrium proportions of protonated and deprotonated sites. We find that protonated sites persist across all λ from 0 to 20, challenging the widely accepted notion that all sites are ionized above a threshold λ value (e.g., 3 or 4). Our simulations generate hundreds of realistic exchange site environments, the characterization of which are based on 6 Å radii sulfur-centered ‘inner-spheres’. These inner- and outer-sphere regions elucidate an interplay of stereoelectronic factors that influence protonation states, including the number of inner-sphere waters (Λ). Our simulations produce broad λ-dependent distributions of Λ values, representing non-uniform exchange site hydration. Moreover, we demonstrate that these distributions are specific to both protonated and deprotonated sites, with significant overlap between the two distributions for all non-zero λ. These distributions underpin the IR spectra of hydrated membranes, with each exchange site contributing an IR spectrum characteristic of its protonation state and Λ. We expect that these nanostructural characterizations of Nafion exchange sites will contribute to the development of new ionomers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗