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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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NASA NTRS2004

CuInS2 Films Deposited by Aerosol-Assisted Chemical Vapor Deposition Using Ternary Single-Source Precursors

Polycrystalline CuInS2 films were deposited by aerosol-assisted chemical vapor deposition using both solid and liquid ternary single-source precursors (SSPs) prepared in-house. Films with either (112) or (204/220) preferred orientation were obtained, and compositional analysis showed that (112)-oriented films contained more copper than (204/220)-oriented films. Using X-ray diffraction, the signature of chalcopyrite structure was often confirmed for (112)-oriented films. The preferred orientation of the film is likely related to the decomposition and reaction kinetics associated with the molecular structure of the precursors at the substrate. Interestingly, the (204/220)-oriented films were always accompanied by a secondary phase, which was identified as an unknown In-rich compound from the results of post-growth annealing, etching experiments, and Raman spectroscopic data. By increasing Cu to In ratio in the film, (112)-oriented films were obtained with a maximum grain size of about 0.5 micrometers, and their X-ray diffractions did not show any observable signature of the In secondary phase. Electrical and optical properties of all the films grown were characterized. They all showed p-type conduction with an electrical resistivity between 0.1 omega cm and 30 omega cm, and an optical band gap of 1.46eV +/- 0.02, as deposited. The material properties of deposited films revealed this methodology of using SSPs for fabricating chalcopyrite-based solar cells to be highly promising.

Jin, Michael H.-C.↗
NASA NTRS2005

Chirality Characterization of Dispersed Single Wall Carbon Nanotubes

Raman scattering and optical absorption spectroscopy are used for the chirality characterization of HiPco single wall carbon nanotubes (SWNTs) dispersed in aqueous solution with the surfactant sodium dodecylbenzene sulfonate. Radial breathing mode (RBM) Raman peaks for semiconducting and metallic SWNTs are identified by directly comparing the Raman spectra with the Kataura plot. The SWNT diameters are calculated from these resonant peak positions. Next, a list of (n, m) pairs, yielding the SWNT diameters within a few percent of that obtained from each resonant peak position, is established. The interband transition energies for the list of SWNT (n, m) pairs are calculated based on the tight binding energy expression for each list of the (n, m) pairs, and the pairs yielding the closest values to the corresponding experimental optical absorption peaks are selected. The results reveal that (1, 11), (4, 11), and (0, 11) as the most probable chiralities of the semiconducting nanotubes. The results also reveal that (4, 16), (6, 12) and (8, 8) are the most probable chiralities for the metallic nanotubes. Directly relating the Raman scattering data to the optical absorption spectra, the present method is considered the simplest technique currently available. Another advantage of this technique is the use of the E(sup 8)(sub 11) peaks in the optical absorption spectrum in the analysis to enhance the accuracy in the results.

Namkung, Min↗
NASA NTRS2017

Prediction of Turbulent Temperature Fluctuations in Hot Jets

Large-eddy simulations were used to investigate turbulent temperature fluctuations and turbulent heat flux in hot jets. A high-resolution finite-difference Navier-Stokes solver, WRLES, was used to compute the flow from a 2-inch round nozzle. Several different flow conditions, consisting of different jet Mach numbers and temperature ratios, were examined. Predictions of mean and fluctuating velocities were compared to previously obtained particle image velocimetry data. Predictions of mean and fluctuating temperature were compared to new data obtained using Raman spectroscopy. Based on the good agreement with experimental data for the individual quantities, the combined quantity turbulent heat flux was examined.

large-eddy simulations↗
NASA NTRS2017

Prediction of Turbulent Temperature Fluctuations in Hot Jets

Large-eddy simulations were used to investigate turbulent temperature fluctuations and turbulent heat flux in hot jets. A high-resolution finite-difference Navier-Stokes solver, WRLES, was used to compute the flow from a 2-inch round nozzle. Several different flow conditions, consisting of different jet Mach numbers and temperature ratios, were examined. Predictions of mean and fluctuating velocities were compared to previously obtained particle image velocimetry data. Predictions of mean and fluctuating temperature were compared to new data obtained using Raman spectroscopy. Based on the good agreement with experimental data for the individual quantities, the combined quantity turbulent heat flux was examined.

hot jets↗
NASA NTRS1985

Raman scattering from phonons and magnons in magnetic semiconductors, MnTe

Comparisons are made between theoretical and experimental data on laser Raman scattering by phonons and two-magnons in antiferromagnetic and paramagnetic phases of MnTe. The study was performed specifically to characterize the magnetic exchange coupling constants of the Mn ions in the samples. Crystal MnTe samples were bombarded with an Ar ion laser beam to obtain spectrometer and photon counter data. One E(2g) phonon with a room temperature energy of 178/cm and a two-magnon peak of 360/cm were observed in the Raman spectrum. A spin wave dispersion relation is presented for the spectrum. Finally, a Monte Carlo technique was used to calculate the two-magnon joint density of states that best fits the experimental data.

Mobasser, S. R.↗
NASA NTRS2009

Evaluation of the OMI Cloud Pressures Derived from Rotational Raman Scattering by Comparisons with other Satellite Data and Radiative Transfer Simulations

In this paper we examine differences between cloud pressures retrieved from the Ozone Monitoring Instrument (OMI) using the ultraviolet rotational Raman scattering (RRS) algorithm and those from the thermal infrared (IR) Aqua/MODIS. Several cloud data sets are currently being used in OMI trace gas retrieval algorithms including climatologies based on IR measurements and simultaneous cloud parameters derived from OMI. From a validation perspective, it is important to understand the OMI retrieved cloud parameters and how they differ with those derived from the IR. To this end, we perform radiative transfer calculations to simulate the effects of different geophysical conditions on the OMI RRS cloud pressure retrievals. We also quantify errors related to the use of the Mixed Lambert-Equivalent Reflectivity (MLER) concept as currently implemented of the OMI algorithms. Using properties from the Cloudsat radar and MODIS, we show that radiative transfer calculations support the following: (1) The MLER model is adequate for single-layer optically thick, geometrically thin clouds, but can produce significant errors in estimated cloud pressure for optically thin clouds. (2) In a two-layer cloud, the RRS algorithm may retrieve a cloud pressure that is either between the two cloud decks or even beneath the top of the lower cloud deck because of scattering between the cloud layers; the retrieved pressure depends upon the viewing geometry and the optical depth of the upper cloud deck. (3) Absorbing aerosol in and above a cloud can produce significant errors in the retrieved cloud pressure. (4) The retrieved RRS effective pressure for a deep convective cloud will be significantly higher than the physical cloud top pressure derived with thermal IR.

Vasilkov, Alexander↗
NASA NTRS2007

Single-Shot Scalar-Triplet Measurements in High-Pressure Swirl-Stabilized Flames for Combustion Code Validation

In support of NASA ARMD's code validation project, we have made significant progress by providing the first quantitative single-shot multi-scalar data from a turbulent elevated-pressure (5 atm), swirl-stabilized, lean direct injection (LDI) type research burner operating on CH4-air using a spatially-resolved pulsed-laser spontaneous Raman diagnostic technique. The Raman diagnostics apparatus and data analysis that we present here were developed over the past 6 years at Glenn Research Center. From the Raman scattering data, we produce spatially-mapped probability density functions (PDFs) of the instantaneous temperature, determined using a newly developed low-resolution effective rotational bandwidth (ERB) technique. The measured 3-scalar (triplet) correlations, between temperature, CH4, and O2 concentrations, as well as their PDF s, also provide a high-level of detail into the nature and extent of the turbulent mixing process and its impact on chemical reactions in a realistic gas turbine injector flame at elevated pressures. The multi-scalar triplet data set presented here provides a good validation case for CFD combustion codes to simulate by providing both average and statistical values for the 3 measured scalars.

Kojima, Jun↗
NASA NTRSDate not supplied

Ramdb: The NASA Raman Spectral Database (version 1.00).

Given that, in most instances, minimal sample preparation is required and due to its contactless instrument design, Raman spectroscopy is one of the most versatile vibrational spectroscopic techniques for the chemical analysis of environmental and biological specimens. The diversity of applications of Raman spectroscopy ranges anywhere from art [1] to planetary science missions [2]. The advancement in the use of Raman spectroscopy in Solar System missions, notably in post-mission sample return analysis, requires a spectral library holding the broad range of specimens that could be found in Solar System sources. For this purpose, we have initiated the development of a Raman spectral database (Ramdb) at NASA Ames Research Center. Currently, the database includes experimental and theoretical Raman spectra of PAHs [3, 4], as well as laboratory Raman spectra of amino acids, carbon allotropes, minerals, and analogs relevance to Earth Sciences [5], Exobiology [6], Planetary [7], and Astrochemistry [8] to name just a few examples. Ramdb can be found on the web at www.astrochemistry.org/ramdb, where raw and processed Raman spectra can be downloaded in CSV format. The laboratory Raman spectra are measured using a laser Raman spectrometer (JASCO NRS-5500-532QRI). The Raman instrument is equipped with three excitation lasers, with wavelengths of 405, 532, and 785 nm. A clean silicon substrate is used as the internal standard for wavenumber calibration. Powdered samples were prepared (microscopic >10 um, grounded microscopic < 10 um) on glass slides. Some raw data exhibited a background signal arising as a combination of laser-induced fluorescence from the sample. To correct this background, we developed a Python pipeline that uses open-source Python libraries. Ramdb provides both raw and processed (using Python pipeline) data, which includes tabulated Raman shift transitions and other measurement details. The theoretical Raman band positions of PAHs (pyrene monomers and tetramer clusters) were computed using density functional theory (DFT) with the help of the Gaussian 16 suite of programs [9]. In the near future, Ramdb will serve as a repository of Raman spectral data from Laboratory Astrophysics and Planetary Science experiments involving the irradiation of organic compounds under simulated space and planetary conditions. In addition, online and offline tools will be developed for utilising the database for comparison to the user’s sample.

N Punnakayathil↗
NASA NTRS2021

Synthesis and Characterization of Fe(III)-Fe(II)- Mg- Al Smectite Solid Solutions and Implications for Planetary Science

This study demonstrates the synergies and limits of multiple measurement types for the detection of smectite chemistry and oxidation state on planetary surfaces to infer past geochemical conditions. Smectite clay minerals are common products of water-rock interactions throughout the solar system, and their detection and characterization provides important clues about geochemical conditions and past environments if sufficient information about their composition can be discerned. Here, we synthesize and report on the spectroscopic properties of a suite of smectite samples that span the intermediate compositional range between Fe(II), Fe(III), Mg, and Al end-member species using bulk chemical analyses, X-ray diffraction, Vis/IR reflectance spectroscopy, UV and green-laser Raman spectroscopy, and Mössbauer spectroscopy. Our data show that smectite composition and the oxidation state of octahedral Fe can be reliably identified in the near infrared on the basis of combination and fundamental metal-OH stretching modes between 2.1–2.9 μm, which vary systematically with chemistry. Smectites dominated by Mg or Fe(III) have spectrally distinct fundamental and combination stretches, whereas Al-rich and Fe(II)-rich smectites have similar fundamental minima near 2.76 μm, but have distinct combination M-OH features between 2.24 and 2.36 μm. We show that with expanded spectral libraries that include intermediate composition smectites and both Fe(III) and Fe(II) oxidation states, more refined characterization of smectites from MIR data is now possible, as the position of the 450 cm–1 absorption shifts systematically with octahedral Fe content, although detailed analysis is best accomplished in concert with other characterization methods. Our data also provide the first Raman spectral libraries of smectite clays as a function of chemistry, and we demonstrate that Raman spectroscopy at multiple excitation wavelengths can qualitatively distinguish smectite clays of different structures and can enhance interpretation by other types of analyses. Our sample set demonstrates how X-ray diffraction can distinguish between dioctahedral and trioctahedral smectites using either the (02,11) or (06,33) peaks, but auxiliary information about chemistry and oxidation state aids in specific identifications. Finally, the temperature-dependent isomer shift and quadrupole splitting in Mössbauer data are insensitive to changes in Fe content but reliability differentiates Fe within the smectite mineral structure.

Valerie K Fox↗
NASA NTRS1996

Development of a Technique for Separating Raman Scattering Signals from Background Emission with Single-Shot Measurement Potential

Raman scattering is a powerful technique for quantitatively probing high temperature and high speed flows. However, this technique has typically been limited to clean hydrogen flames because of the broadband fluorescence interference which occurs in hydrocarbon flames. Fluorescence can also interfere with the Raman signal in clean hydrogen flames when broadband UV lasers are used as the scattering source. A solution to this problem has been demonstrated. The solution to the fluorescence interference lies in the fact that the vibrational Q-branch Raman signal is highly polarized for 90 deg. signal collection and the fluorescence background is essentially unpolarized. Two basic schemes are available for separating the Raman from the background. One scheme involves using a polarized laser and collecting a signal with both horizontal and vertical laser polarizations separately. The signal with the vertical polarization will contain both the Raman and the fluorescence while the signal with the horizontal polarization will contain only the fluorescence. The second scheme involves polarization discrimination on the collection side of the optical setup. For vertical laser polarization, the scattered Q-branch Raman signal will be vertically polarized; hence the two polarizations can be collected separately and the difference between the two is the Raman signal. This approach has been used for the work found herein and has the advantage of allowing the data to be collected from the same laser shot(s). This makes it possible to collect quantitative Raman data with single shot resolution in conditions where interference cannot otherwise be eliminated.

Hartfield, Roy↗
NASA NTRS1973

Determination of the temperature of gas mixtures by using laser Raman scattering

A theoretical model for the Raman rotational spectrum of air was formulated, yielding the spectral temperature dependence; and an error analysis of temperature measurement accuracies was performed. The theoretical spectra and the predicted temperature measurement error of + or - 20 K (7 percent) compared well with experimental data. These experimental data consisted of Raman spectra of air obtained for temperatures ranging from 243 to 313 K at a pressure of 1 atmosphere. The use of selected lines resulted in an experimental accuracy of + or - 13 K (-5 percent).

Coney, T. A.↗
NASA NTRS1992

Water vapor variance measurements using a Raman lidar

Because of the importance of atmospheric water vapor variance, we have analyzed data from the NASA/Goddard Raman lidar to obtain temporal scales of water vapor mixing ratio as a function of altitude over observation periods extending to 12 hours. The ground-based lidar measures water vapor mixing ration from near the earth's surface to an altitude of 9-10 km. Moisture profiles are acquired once every minute with 75 m vertical resolution. Data at each 75 meter altitude level can be displayed as a function of time from the beginning to the end of an observation period. These time sequences have been spectrally analyzed using a fast Fourier transform technique. An example of such a temporal spectrum obtained between 00:22 and 10:29 UT on December 6, 1991 is shown in the figure. The curve shown on the figure represents the spectral average of data from 11 height levels centered on an altitude of 1 km (1 plus or minus .375 km). The spectra shows a decrease in energy density with frequency which generally follows a -5/3 power law over the spectral interval 3x10 (exp -5) to 4x10 (exp -3) Hz. The flattening of the spectrum for frequencies greater than 6x10 (exp -3) Hz is most likely a measure of instrumental noise. Spectra like that shown in the figure are calculated for other altitudes and show changes in spectral features with height. Spectral analysis versus height have been performed for several observation periods which demonstrate changes in water vapor mixing ratio spectral character from one observation period to the next. The combination of these temporal spectra with independent measurements of winds aloft provide an opportunity to infer spatial scales of moisture variance.

Evans, K.↗
NASA NTRS2019

TPSAS-NF1676L-32345-DND

Interest in the use of Raman spectrometers has seen an increase in the fields of geology and planetary sciences due to the non-destructive insight Raman spectra may provide into the molecular makeup of a given sample. Advancements in Raman spectrometer hardware have allowed for compact instruments to have deployment capabilities directly on interplanetary missions, flexible usage conditions requiring no sample collection/preparation, and no need for daylight radiation shielding. As the amount of science which can be collected from a Raman spectrometer in a given amount of time increases, a bottleneck will be created in data analysis which leaves a need for a faster method of spectral data classification. Recent studies have shown that machine learning models are able to solve this problem by achieving high-accuracy classification. Liu et al4 found the convolutional neural network (CNN) held the highest classification accuracy (96% top 5) for single sample Raman data.

A Atkinson↗
NASA NTRS1972

Infrared and Raman spectroscopic studies of structural variations in minerals from Apollo 11, 12, 14 and 15 samples, volume 3

Infrared and Raman vibrational spectroscopic data, yielding direct information on molecular structure, were obtained for single grains ( 150 microns) of minerals, basalts, and glasses isolated from Apollo 11, 12, 14, and 15 rock and dust samples, and for grains in Apollo 14 polished butt samples. From the vibrational data, specification substitutions were determined for the predominant silicate minerals of plagioclase, pyroxene, and olivine. Unique spectral variations for grains of K-feldspar, orthopyroxene, pyroxenoid, and ilmenite were observed to exceed the ranges of terrestrial samples, and these variations may be correlatable with formation histories. Alpha-quartz was isolated as pure single grains, in granitic grains composited with sanidine, and in unique grains that were intimately mixed with varying amounts of glass. Accessory minerals of chromite and ulvospinel were isolated as pure grains and structurally characterized from their distinctive infrared spectra. Fundamental vibrations of the SiO4 tetrahedra in silicate minerals were used to classify bulk compositions in dust sieved fractions, basalt grains and glass particles, and to compare modal characteristics for maria, highland and rille samples. No hydrated minerals were found in any of the samples studied, indicating anhydrous formation conditions.

Estep, P. A.↗
NASA NTRS1988

Radiation resistance and comparative performance of ITO/InP and n/p InP homojunction solar cells

The radiation resistance of ITO/InP cells processed by DC magnetron sputtering is compared to that of standard n/p InP and GaAs homojunction cells. After 20 MeV proton irradiations, it is found that the radiation resistance of the present ITO/InP cell is comparable to that of the n/p homojunction InP cell and that both InP cell types have radiation resistance significantly greater than GaAs. The relatively lower radiation resistance, observed at higher fluence, for the InP cell with the deepest junction depth, is attributed to losses in the cells emitter region. Diode parameters obtained from I sub sc - V sub oc plots, data from surface Raman spectroscopy, and determinations of surface conductivity types are used to investigate the configuration of the ITO/InP cells. It is concluded that thesee latter cells are n/p homojunctions, the n-region consisting of a disordered layer at the oxide semiconductor.

Weinberg, I.↗
NASA NTRS1988

Radiation resistance and comparative performance of ITO/InP and n/p InP homojunction solar cells

The radiation resistance of ITO/InP cells processed by dc magnetron sputtering is compared to that of standard n/p InP and GaAs homojunction cells. After 20 MeV proton irradiations, it is found that the radiation resistance of the present ITO/InP cell is comparable to that of the n/p homojunction InP cell and that both InP cell types have radiation resistances significantly greater than GaAs. The relatively lower radiation resistance, observed at higher fluence, for the InP cell with the deepest junction depth, is attributed to losses in the cells emitter region. Diode parameters obtained from I sub sc - V sub oc plots, data from surface Raman spectrosocpy, and determinations of surface conductivity type are used to investigate the configuration of the ITO/InP cells. It is concluded that these latter cells are n/p homojunctions, the n-region consisting of a disordered layer at the oxide semiconductor.

Weinberg, I.↗
NASA NTRS1991

An overview of the essential differences and similarities of system identification techniques

Information is given in the form of outlines, graphs, tables and charts. Topics include system identification, Bayesian statistical decision theory, Maximum Likelihood Estimation, identification methods, structural mode identification using a stochastic realization algorithm, and identification results regarding membrane simulations and X-29 flutter flight test data.

Mehra, Raman K.↗