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At least 343 records · Page 19

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NASA NTRS1992

Temperature-dependent reflectivity of silicon carbide

The spectral reflectivity of a commercial silicon carbide (SiC) ceramic surface was measured at wavelengths from 2.5 to 14.5 microns and at temperatures ranging from 358 to 520 K using a NASA-developed multiwavelength pyrometer. The SiC surface reflectivity was low at the short wavelengths, decreasing to almost zero at 10 microns, then increasing rapidly to a maximum at approximately 12.5 microns, and decreasing gradually thereafter. The reflectivity maximum increased in magnitude with increasing surface temperature. The wavelength and temperature dependence can be explained in terms of the classical dispersion theory of crystals and the Lorentz electron theory. Electronic transitions between the donor state and the conduction band states were responsible for the dispersion. The concentration of the donor state in SiC was determined to be approximately 4 x 10 exp 18 and its ionization energy was determined to be approximately 71 meV.

Ng, Daniel↗

NASA NTRS1992

Optical emission generated by collisions of 5 eV O(3P) atoms with surface-absorbed hydrazine

Optical emission has been observed corresponding to vibrational bands in the NH (A 3Pi - X 3Sigma(-)) electronic transition during collisions of 5 eV, ground-state oxygen O(3P) atoms with MgF2 and Ni surfaces continuously exposed to a beam of hydrazine (N2H4). The NH emission intensity is observed to be about five times greater for MgF2 than for Ni. No dependence on temperature was observed for either surface in the range 240 - 340 K, implying that the NH-producing intermediate species is tightly bound. The half-lifetime for desorption of hydrazine from each surface was measured. This was found to be 120 min for the MgF2 surface at 240 K, and less than 20 min for Ni. After exposure, the surface composition was measured using X-ray photoelectron spectroscopy on the exposed and unexposed areas of both targets.

Orient, O. J.↗

NASA NTRS1992

Location of nanophase Fe-oxides in palagonitic soils: Implication for Martian pigments

Palagonitic materials from Mauna Kea, Hawaii, were identified as Mars analogs based on their spectral and magnetic properties. These materials probably resulted from hydrothermal alteration during eruption of the volcano and/or from weathering under ambient conditions. The reflectance spectra of the Mars surface obtained by Earth-based telescopes and the reflectance spectra of analogs obtained in the laboratory show features due to electronic transitions of Fe(III) in oxide particles that range in size from nanometer (nanophase) to micrometer sized or larger. The presence of Fe(III) suggests oxidizing conditions during the alteration process in Mars that may have occurred in the past or during a slow ongoing process. Two naturally altered basaltic samples from Hawaii (HWMK12 and HWMK13) and a laboratory-altered (PH-13-DCGT2) basaltic glass similar in elemental composition to the above two samples was examined. All three samples exhibited spectral characteristics similar to martian bright-region spectra. Chemical and mineralogical changes occurring at the surface of these basalts were studied in order to understand the basis for their Mars-like properties. The spectral properties of the three samples were examined after the removal of Fe oxides by chemical extractants.

Golden, D. C.↗

NASA NTRS1993

Rotational structure in the near-infrared absorption spectrum of ozone

The lowest energy members of the near-IR absorption bands of ozone possess fine structure which is probably due to the rotation of the molecule in the upper vibronic state, suggesting that this state is metastable. A preliminary analysis of the structures as rotational subbands supports a recent theoretical assignment of the near-IR vibronic features to the 3A2 - 1A1 electronic transition. A binding energy of about 0.1 eV is inferred from the breakoff in the observed structure.

Anderson, Stuart M.↗

NASA NTRS1993

Carbon abundances, major element chemistry, and mineralogy of hydrated interplanetary dust particles

Hydrated interplanetary dust particles (IDP's) comprise a major fraction of the interplanetary dust particles collected in the stratosphere. While much is known about the mineralogy and chemistry of hydrated IDP's, little is known about the C abundance in this class of IDP's, the nature of the C-bearing phases, and how the C abundance is related to other physical properties of hydrated IDP's. Bulk compositional data (including C and O) for 11 hydrated IDP's that were subsequently examined by the transition electron microscopy (TEM) to determine their mineralogy and mineral chemistry are reported. Our analysis indicates that these hydrated IDP's are strongly enriched in C relative to the most C-rich meteorites. The average abundance of C in these hydrated IDP's is 4X CI chondrite values. The bulk compositions (including C and O) of 11 hydrated IDP's were determined by thin-window, energy-dispersive x ray (EDX) spectroscopy of the uncoated IDP's on Be substrates in the scanning electron microscopy (SEM). As a check on our C measurements, one of the IDP's (L2006H5) was embedded in glassy S, and microtome thin sections were prepared and placed onto Be substrates. Thin-film EDX analyses of multiple thin sections of L2006H5 show good agreement with the bulk value determined in the SEM. Following EDX analysis, the mineralogy and mineral chemistry of each IDP was determined by analyzing ultramicrotome thin sections in a TEM equipped with an EDX spectrometer.

Keller, L. P.↗

NASA NTRS1993

Hydrothermal alteration experiments of olivine with varying Fe contents: An attempt to simulate aqueous alteration of the carbonaceous chondrites

Hydrothermal alteration experiments of olivine powder with several Fe/Mg ratios were carried out under acidic and neutral conditions, and transition electron microscopy (TEM) observations were made on the run products. Well-developed tubular crystals of serpentine (chrysotile) were synthesized from Fo100 under both acidic and neutral conditions, and from Fo92 and Fo80 under acidic condition. Abundance and size of chrysotile apparenlty dependent on the Fe contents of olivine, i.e. with increasing Fe contents, less and smaller chrysotile was formed. Acidity of the solution plays an important role for the formation of chrysotile. Platy and fibrous crystals of phyllosilicate, probably serpentine, were obtained from Fo50 and Fo20 treated under acidic condition, which are most similar to the phyllosilicates in the CI and CM chondrites. Framboidal aggregates of Fe-rich grains (presumably Fe-hydroxide) were formed from Fa100 and Fo20, but no phyllosilicate was formed from Fa100.

Takatori, Koichi↗

NASA NTRS1994

Near-IR diode laser absorption for measurement of tropospheric HO2

The possibility of using tunable lead salt diode lasers in the infrared for measurement of tropospheric HO2 has been frequently considered. Although the sensitivity of diode laser absorption has been improved through the use of high frequency detection techniques, nature has been unkind in that the HO2 absorption cross sections are weak. Even using the most optimistic assumptions about attainable path length and detectable absorbance, measurement of tropospheric HO2 by diode laser absorption in the mid-IR appears marginal. A possible alternative method for measuring HO2 is by absorption at near-infrared wavelengths. Several absorption bands of HO2 occur in the wavelength region between 1.2 and 1.6 micron due to electronic transitions and overtones of the fundamental vibrational modes. InGaAsP diode lasers operate in this wavelength region and can be used for high resolution spectroscopy in a manner analogous to the lead salt lasers. A diode laser system in the near-IR offers some advantages.

Stanton, Alan C.↗

NASA NTRS1996

O2 A Band Studies for Cloud Detection and Algorithm Improvement

Detection of cloud parameters from space-based spectrometers can employ the vibrational bands of O2 in the (sup b1)Sigma(sub +)(sub g) yields X(sub 3) Sigma(sup -)(sub g) spin-forbidden electronic transition manifold, particularly the Delta nu = 0 A band. The GOME instrument uses the A band in the Initial Cloud Fitting Algorithm (ICFA). The work reported here consists of making substantial improvements in the line-by-line spectral database for the A band, testing whether an additional correction to the line shape function is necessary in order to correctly model the atmospheric transmission in this band, and calculating prototype cloud and ground template spectra for comparison with satellite measurements.

Chance, K. V.↗

NASA NTRS1996

Atomic and Molecular Data for Interstellar Studies: A Status Report

Most interstellar species have a large fraction of their electronic transitions at far ultraviolet wavelengths. Observations at these wavelengths reveal spectra rich in absorption lines seen against the continuum of a background source, such as a hot star in our Galaxy, a supernova in a nearby galaxy, or even a bright nucleus in an active galaxy. Most of the observations continue to be made with space-borne instruments, but recent work includes measurements of extragalactic material at large redshifts obtained at high resolution with large ground-based telescopes (e.g., the Keck Telescope). The combination of precise experimental oscillator strengths, large-scale computations, and astronomical spectra with high signal-to-noise ratios are yielding a set of self-consistent-values that span a range in strength in excess of 100 for more and more species. The large range is important for studies involving the different environments probed by the various background sources. This review highlights recent work on the atomic species. Si II, S I, and Fe II, and on the molecules, CO and C2.

Federman, Steven R.↗

NASA NTRS1998

Technologies for Non-Destructive Evaluation of Surfaces and Thin Coating

A study was made on two commercially available terbium-doped silicate glasses. There is an increased interest in silicate glasses doped with rare-earth ions for use in high-energy particle detection and radiographic applications. These glasses are of interest due to the fact that they can be formed into small fiber sensors; a property that can be used to increase the spatial resolution of a detection system. Following absorption of radiation, the terbium ions become excited and then emit photons via 4f-4f electronic transitions as they relax back to the ground state. The lifetime of these transitions is on the order of milliseconds. A longer decay component lasting on the order of minutes has also been observed. While radiative transitions in the 4f shell of rare-earth ions are generally well understood by the Judd-Olfelt theory, the presence of a longer luminescence decay component is not. Experimental evidence that the long decay component is due, in part, to the thermal release of trapped charge carriers will be presented. In addition, a theoretical model describing the time evolution of the radiation-induced luminescence will be presented.

Manos, Dennis M.↗

NASA NTRS1996

Time Evolution of Radiation-Induced Luminescence in Terbium-Doped Silicate Glass

A study was made on two commercially available terbium-doped silicate glasses. There is an increased interest in silicate glasses doped with rare-earth ions for use in high-energy particle detection and radiographic applications. These glasses are of interest due to the fact that they can be formed into small fiber sensors; a property that can be used to increase the spatial resolution of a detection system. Following absorption of radiation, the terbium ions become excited and then emit photons via 4f-4f electronic transitions as they relax back to the ground state. The lifetime of these transitions is on the order of milliseconds. A longer decay component lasting on the order of minutes has also been observed. While radiative transitions in the 4f shell of rare-earth ions are generally well understood by the Judd-Olfelt theory, the pr'esence of a longer luminescence decay component is not. Experimental evidence that the long decay component is due, in part, to the thermal release of trapped charge carriers will be presented. In addition, a theoretical model describing the time evolution of the radiation-induced luminescence will be presented.

West, Michael S.↗

NASA NTRS1981

Theoretical Treatment of the X(sup 1)Sigma(sup +), A(sup 1)Sigma(sup +), and B(sup 1)Pi states of LiH

Ab initio self-consistent-field plus configuration-interaction calculations are reported for the X(sup 1)Sigma(sup +), A(sup 1)Sigma(sup +), and B(sup 1)Pi states of LiH using a 22(sugma)12(pi)7(delta) function Slater basis set. The resulting dissociation energies, with the experimental values in parentheses, are D(sub e)(X(sup 1)Sigma(sup +)) = 19 972 (20288)/ cm, and D(sub e)(A(sup 1)Sigma(sup +)) = 9042 (8682)/ cm, and D(sup e)(B(sup 1)Pi) = 284 (288) /cm. This is the first ab initio treatment to quantitatively account for the binding in the B(sup 1)Pi state. Calculated dipole moments and electronic transition moments for the X(sup 1)Sigma(sup+)-A(sup 1)Sigma(sup +), X(sup 1)Sigma(sup +)-B((sup 1)Pi, and A(sup 1)Sigma(sup +)- B(sup 1)PI band systems are in excellent agreement with existing theoretical and experimental data. Radiative transition probabilities and lifetimes, including both the bound-bound and bound-free contributions, are computed for all vibrational levels of the A(sup 1)Sigma(sup+) and B(sup 1)Pi states. Comparison with previous results using experimentally based potentials provides insight into the sensitivity of the radiative lifetimes to the detailed nature of the uppermost region of the potentials. Our calculated lifetimes for the lower vibrational levels of the A(sup 1)Sigma(sup +) state are within the experimental uncertainty. Our calculated lifetimes for the three vibrational levels of the B(sup 1)Pi state are in excellent agreement with those of Zemke and Stwalley (values in parentheses), increasing with (upsilon)' from 11.3 (11.3) nsec at (upsilon)' = 0, to 17.0 (17.0) nsec at (upsilon)' = 1, and then to 23.5 (24.0) nsec at (upsilon)' = 2.

Partridge, Harry↗

NASA NTRS1994

Ab Initio Calculations of Singlet and Triplet Excited States of Chlorine Nitrate and Nitric Acid

Ab initio calculations of vertical excitations to singlet and triplet excited states of chlorine nitrate and nitric acid are reported. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low-lying singlet states of chlorine nitrate appear to be directly dissociative in the ClO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied.

Grana, Ana M.↗

NASA NTRS1995

Theoretical Studies of the Quasi-Bound Vibrational Levels in the B State of CH3

Consider the calculation of the oscillator strength of th B yielded by X electronic transition in CH3. The X state is strongly bound, but in the B state, CH3 is pre-dissociated by H atom tunneling through a potential energy barrier to form CH2+H. If we turn off pre-dissociation by making the potential outside of the barrier repulsive, the calculated 0-0 oscillator strength for CD3 from high quality ab initio potential and transition moment data along with accurate ro-vibrational wavefunctions is 0.0212, which is a factor of two greater than experiment. This discrepancy is largely due to the neglect of pre-dissociation. In this poster we explore techniques for including pre-dissociation in the calculations.

Schwenke, David W.↗

NASA NTRS2004

DDD: Dynamic Database for Diatomics

We have developed as web-based database containing spectra of diatomic moiecuies. All data is computed from first principles, and if a user requests data for a molecule/ion that is not in the database, new calculations are automatically carried out on that species. Rotational, vibrational, and electronic transitions are included. Different levels of accuracy can be selected from qualitatively correct to the best calculations that can be carried out. The user can view and modify spectroscopic constants, view potential energy curves, download detailed high temperature linelists, or view synthetic spectra.

Schwenke, David↗

NASA NTRS2004

Determining the Oxygen Fugacity of Lunar Pyroclastic Glasses Using Vanadium Valence - An Update

We have been developing an oxygen barometer based on the valence state of V (V(2+), V(3+), V(4+), and V(5+)) in solar system basaltic glasses. The V valence is determined by synchrotron micro x-ray absorption near edge structure (XANES), which uses x-ray absorption associated with core-electronic transitions (absorption edges) to reveal a pre-edge peak whose intensity is directly proportional to the valence state of an element. XANES has advantages over other techniques that determine elemental valence because measurements can be made non-destructively in air and in situ on conventional thin sections at a micrometer spatial resolution with elemental sensitivities of approx. 100 ppm. Recent results show that fO2 values derived from the V valence technique are consistent with fO2 estimates determined by other techniques for materials that crystallized above the IW buffer. The fO2's determined by V valence (IW-3.8 to IW-2) for the lunar pyroclastic glasses, however, are on the order of 1 to 2.8 log units below previous estimates. Furthermore, the calculated fO2's decrease with increasing TiO2 contents from the A17 VLT to the A17 Orange glasses. In order to investigate these results further, we have synthesized lunar green and orange glasses and examined them by XANES.

Karner, J. M.↗

NASA NTRS2005

Experimental Near Infrared Spectroscopy of Polycyclic Aromatic Hydrocarbons Between 0.7 to 2.5 microns

The near infrared (NIR) spectra and absolute band strengths of 27 polycyclic aromatic hydrocarbon (PAH) cations and anions ranging in size from C14H10 to C50H22, are reported. The spectra from 0.7 to 2.5 microns (14,000 to 4000/cm) are presented for the fifteen PAHs ranging in size from C40H18 to C50H22 whereas the spectra of the remaining twelve span the narrower range from 0.7 to 1.1 microns (14,000 to 9000/cm). The spectra of all the ionized PAHs we have studied to date have strong, broad absorption bands in the NIR arising from electronic transitions. This work shows that ionized PAHs have significant absorption bands at longer wavelengths than predicted by the current astronomical models which consider PAHs in their treatment of the radiation balance of the interstellar medium. Two implications are 1)-ionized interstellar PAHs should add weak, broad band structure to the NIR portion of the interstellar extinction curve and 2)- UV poor radiation fields can pump the PAH emission bands provided ionized PAHs are present.

Mattioda, A. L.↗

NASA NTRS2005

Steps Toward Identifying PAHs: A Child's Garden of Recent Results

Based on over two decades of experimental, observational and theoretical studies by scientists around the world. It is now widely accepted that the composite emission of mixtures of vibrationally-excited PAHs and PAH ions can accommodate the general pattern of band positions, intensities, and profiles observed in the discreet IR emission features of carbon-rich interstellar dust, as well as the variations in those characteristics. These variations provide insight into the detailed nature of the emitting PAH population and reflect conditions within the emitting regions giving the population enormous potential as probes of astrophysical environments. Moreover, the ubiquity and abundance of this material has impacts that extend well beyond the IR. In this presentation we will examine recent, combined experimental, theoretical, and observational studies that indicate that nitrogen-substituted PAHs represent an important component of the interstellar dust population, and we will go on to explore some of the ramifications of this result. We will also explore the results of recent experimental studies of the strong, low-lying electronic transitions of ionized PAH ions in the Near-IR (0.7 - 2.5 microns) and explore the role that these transitions might play in pumping the PAH IR emission in regions of low-excitation.

Hudgins, Douglas M.↗