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NASA NTRS1995

On the nature of spectral features in peculiar DQ white dwarfs

Spectropolarimetric measurements are presented for the DQ white dwarfs ESO 439-162, LHS 1126, and G225-68, whose spectroscopic features in the optical have been interpreted in the past as pressure-shifted or magnetically shifted C2 Swan bands. The results convincingly demonstrate that none of these objects is strongly magnetic, with upper limits of 30, 3, and 2 MG respectively. Since Bergeron et al. (B 94) have recently ruled out the pressure-shift interpretation for LHS 1126 as well, we discuss alternative physical mechanisms for displacing the Swan bands. Although possibilities for explaining the observed shifts may exist, a comparison of the optical spectra (and that of a similar DQ star, LP 77-57) indicates that the locations and shapes of the profiles in all four objects are virtually identical. This last result suggests instead that a different molecular species could be responsible. A detailed chemical equilibrium analysis of H/He/C mixtures under the physical conditions encountered in the atmospheres of these peculiar objects reveals that C2H is a molecule preferentially formed in the photospheric regions. The nature and evolution of these objects are discussed.

Schmidt, Gary D.↗

NASA NTRS1980

The rings of Saturn - New near-infrared reflectance measurements and a 0.326-4.08 micron summary

A new high-photometric-precision reflectance spectrum of Saturn's rings covering the spectral region 0.65 to 2.5 microns is presented and three previously unreported absorption features at 1.25, 0.85, and probably 1.04 microns are identified. The 1.25- and 1.04 micron absorptions are due to water ice. The 0.85 microns feature may be due to a combination of 0.81- and 0.90 micron ice absorptions but this feature appears too strong relative to the 1.04 micron band to be completely explained by water ice. Another possibility is that the 0.85 micron band is due to Fe(3+)-bearing minerals in an ice-mineral mixture. This explanation could also account for the drop in the visible and ultraviolet reflectance and the rise in reflectance around 3.6 microns. Finally, a composite spectrum from 0.325 to 4.08 is presented which will be useful for future analysis and laboratory studies.

Clark, R. N.↗

NASA NTRSDate not supplied

Soluble Organic Matter (SOM) analysis of the Hayabusa2 samples: The first results

The Hayabusa2 spacecraft successfully collected the surface and possible sub-surface materials of the asteroid 162173 Ryugu. Ryugu is a C-type asteroid characterized by a low-albedo surface probably consisting of hydrous minerals and carbonaceous materials. [1] The direct optical and spectral analysis of the returned samples indicates that Ryugu material is dominated by hydrous carbonaceous chondrite-like matter (similar to CI chondrites) [2]. Since carbonaceous chondrites have generally yielded various types of organic matter, the collected Ryugu grains are expected to contain diverse types of organic compounds including bio-related molecules. The occurrence of organic compounds in the Ryugu surface will provide clues to the evolution of prebiotic molecules and their preservations associated with aqueous alteration of the primitive asteroid. The initial analysis of soluble organic matter (SOM) of the Hayabusa2-returned samples has been performed by an international team consisting of 32 members. Because the sample amount available for comprehensive SOM analyses is limited, and because the SOM is expected to be present as a complex mixture of various types of organic compounds with very small concentrations of each compound, high-sensitivity and high-resolution analytical techniques have been developed using carbonaceous meteorites [e.g. 3]. Two aggregate samples of the Ryugu grains (A106 and C107) were allocated for the solvent extractions and bulk carbon (C), hydrogen (H), nitrogen (N), sulfur (S) and oxygen (O) measurements. The A106 sample was collected during the 1st sampling in February 2019 and the C107 sample was collected during the 2nd sampling in July 2019 after the Small Carry Impactor (SCI) operation. They consist mainly of particles smaller than 1 mm in diameter, and each sample mass was 38-39 mg. They were firstly investigated spectroscopically in the near infrared wavelength range by the Stone Team prior to the solvent extractions. Other small grains (A0080 and C0057) were also allocated for this study to investigate the spatial distribution of organic compounds on the sample surface. The extraction and analytical measurements implemented by the SOM Team are summarized in Figure 1. Each powder sample was extracted sequentially with non-polar to polar solvents, i.e., hexane, dichloromethane (DCM), methanol (MeOH) and H2O, for non-targeted analysis to reveal the compound composition. Each solvent extract was analyzed by solution state nuclear magnetic resonance (NMR) spectroscopy [4], Fourier transform- ion cyclotron resonance/mass spectrometry (FT-ICR/MS) with ESI and APPI ionization [5] and by high-resolution mass spectroscopy using Orbitrap MS coupled with nano-liquid chromatography (nanoLC/Orbitrap MS) [6], and using two dimensional gas chromatography/mass spectrometry (GC×GC/MS). The extracted residues were passed to the Chemistry Team for further inorganic element analysis. The other powder sample was subjected to the hot water extraction for amino acid analyses including chiral isomer separation, which was performed by three-dimensional (3D) high-performance liquid chromatography (HPLC) with high-sensitivity fluorescence detection (FD) [7] and by HPLC/FD coupled with quadrupole-time of flight/mass spectrometry (QToF/MS) [8]. After the hot water extraction, the residue was split into two halves. One half was further extracted with hydrochloric acid (HCl) to analyze for amino acids in bound-form. The other half was sequentially extracted with DCM/MeOH (1/1) to analyze semi-polar compounds such as polycyclic aromatic hydrocarbons (PAHs) by GC/MS, followed by further extraction with formic acid to analyze polar heterocyclic compounds, and subsequent extraction with HCl to detect bound-form polar compounds. The extracted residues were passed to the IOM Team for the analysis of insoluble organic matter (IOM). Compound-specific stable isotope analyses will be performed using GC/combustion/isotope ratio mass spectrometry (GC/C/IRMS) if the compound concentration is high enough to enable such an isotopic measurement. All extraction procedures were performed on an ISO 6 (Class 100) clean bench inside an ISO 5 (Class 1000) clean room. Baked serpentine powder was also analyzed as a procedural blank. In situ organic compound analysis with the molecular imaging was performed using desorption electrospray ionization (DESI) equipped with Orbitrap MS [9, 10], followed by spatial imaging of organic compounds using ToF/secondary ion mass spectrometry (ToF/SIMS) [11]. The bulk chemical and isotopic compositions of CNS and HO were determined using nano-elemental analysis/isotope ratio mass spectrometry (nanoEA/IRMS) [12] and EA/pyrolysis/IRMS, respectively. We have identified a variety of indigenous organic compounds in the extracts of both A106 and C107 samples. The Ryugu grains host organic molecules under the high-vacuum and cosmic-ray irradiation environment of the asteroid surface. The analysis of extracted molecules is in progress, and the first results will be presented at the symposium.

Hiroshi Naraoka↗

DOE OSTI2015

Synthesis and characterization of pure STW-zeotype germanosilicate, Cu- and Co-substituted STW-zeotype materials

Pure STW-type germanosilicate (denoted as GeSi-STW), Cu- and Co-containing STW-zeotype (denoted as Cu-STW and Co-STW) materials were synthesized by the hydrothermal method in the presence of an organic structure-directing agent (OSDA), N,N-diethylethylenediamine (DEEDA). The effects of the reaction mixture ratio and the incorporation of transition metals M (M=Cu and Co) on the synthesis of the pure product was investigated. The synthesized samples were characterized by powder and single-crystal X-ray diffraction (XRD), scanning electron microscopy (SEM), inductively coupled plasma analysis (ICP), thermogravimetric and differential scanning calorimetry (TG–DSC) analysis and UV–vis diffuse reflectance spectra (DRS). The results reveal that the crystallization time, the concentration of H{sub 2}O in the reaction mixture and the addition of HF all have an important impact on the synthesis of pure STW-type zeolite. GeSi-STW is stable up to 800 °C, and has much higher thermal stability than SU-32 (stable to 400 °C). Co and Cu have been introduced for the first time into STW-zeotype materials. - Graphical abstract: SEM images of GeSi-STW (A and B), Co-STW (C and D) and Cu-STW (E and F). - Highlights: • Pure STW-type germanosilicate materials were hydrothermally synthesized. • The STW-type germanosilicate has high thermal stability up to 800 °C. • Co and Cu have been introduced for the first time in the STW-zeotype materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Spectro-Microscopic Analysis of Soot Particle Composition and Source Attribution

Ambient soot particles significantly impact Earth’s radiative balance, human health, and atmospheric visibility. Their microstructural properties depend on formation and aging mechanisms, which vary by emission source and atmospheric processes. Hence, accurately identifying sources of soot enhances our understanding of their physicochemical properties and atmospheric implications. This study used a multi-modal approach to characterize and attribute sources of submicron soot particles collected in Israel during new particle formation events, biomass burning episodes, and background atmospheric conditions. Synchrotron-based X-ray microscopy was used to map soot (elemental carbon), organic carbon, and inorganic species. Implemented atomic force microscopy showed highly diverse phase states, with soot consistently exhibiting a solid-like phase. Automated µ-Raman analysis was subsequently performed on ~690 particles, identifying three soot classes based on spectral features corresponding to the "Defect" (D) and "Graphite" (G) bands of soot. We applied two-peak and five-peak fitting approaches to deconvolute the “Defect” peaks (D1, D2, D3, and D4) and G band from average Raman, revealing varying degrees of graphitic order. The degree of graphitic order was determined from metrics such as the D3 peak area, often observed when soot was internally mixed with organic material. Raman spectral features, along with temporal variations in particle classes contributions, suggest that Particle Type 1 corresponds to traffic related soot and Particle Type 2 to less graphitic soot from biomass burning, while Particle Type 3 is associated with more heterogeneous particulate representative of soot-OC mixtures emitted during new particle formation and biomass burning episodes.

Rivera-Adorno, Felipe (ORCID:0000000273557999)↗

NASA NTRS2002

Mars Infrared Spectroscopy: From Theory and the Laboratory To Field Observations

The continuity and timely implementation of the Mars exploration strategy relies heavily on the ability of the planetary community to interpret infrared spectral data. However, the increasing mission rate, data volume, and data variety, combined with the small number of spectroscopists within the planetary community, will require a coordinated community effort for effective and timely interpretation of the newly acquired and planned data sets. Relevant spectroscopic instruments include the 1996 TES, 2001 THEMIS, 2003 Pancam, 2003 Mini-TES, 2003 Mars Express OMEGA, 2003 Mars Express PFS, and 2005 CFUSM. In light of that, leaders of the Mars spectral community met June 4-6 to address the question: What terrestrial theoretical, laboratory, and field studies are most needed to best support timely interpretations of current and planned visible infrared spectrometer data sets, in light of the Mars Program goals? A primary goal of the spectral community is to provide a reservoir of information to enhance and expand the exploration of Mars. Spectroscopy has a long history of providing the fundamental compositional discoveries in the solar system, from atmospheric constituents to surface mineralogy, from earth-based to spacecraft-based observations. However, such spectroscopic compositional discoveries, especially surface mineralogies, have usually come after long periods of detailed integration of remote observations, laboratory analyses, and field measurements. Spectroscopic information of surfaces is particularly complex and often is confounded by interference of broad, overlapping absorption features as well as confusing issues of mixtures, coatings, and grain size effects. Thus some spectroscopic compositional discoveries have come only after many years of research. However, we are entering an era of Mars exploration with missions carrying sophisticated spectrometers launching about every 2 years. It is critical that each mission provide answers to relevant questions to optimize the success of the next mission. That will not occur effectively unless the spectroscopic remote sensing data can be processed and understood on an approximate 2-year rate. Our current knowledge of spectral properties of materials and confounding effects of the natural environment are note well enough understood for the accurate interpretations needed for such ambitious and time critical exploration objectives. This workshop focused on identify ing critical gaps in moving the field towards the goal of rapid and accurate analysis and interpretation.

Kirkland, Laurel↗

DOE OSTI2019

A new high-order spectral difference method for simulating viscous flows on unstructured grids with mixed-element meshes

In the present study, a spectral difference (SD) method is developed for viscous flows on meshes with a mixture of triangular and quadrilateral elements. The standard SD method for triangular elements, which employs Lagrangian interpolating functions for fluxes, is not stable when the designed accuracy of spatial discretization is third order or higher. Unlike the standard SD method, the method examined here uses vector interpolating functions in the Raviart-Thomas (RT) spaces to construct continuous flux functions on reference elements. The spectral-difference Raviart-Thomas (SDRT) method was originally proposed by Balan et al. and implemented on triangular-element meshes for invisid flow only. Our present results demonstrated that the SDRT method is stable and high-order accurate in two dimensions (2D) for a number of test problems by using triangular-, quadrilateral-, and mixed-element meshes for both inviscid and viscous flows. A stability analysis is also performed for mixed elements. Furthermore, we found our current SDRT scheme is stable for fourth-order accurate spatial discretizations. However, a stable fifth-order SDRT scheme remains to be identified.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2015

Intensity Conserving Spectral Fitting

The detailed shapes of spectral line profiles provide valuable information about the emitting plasma, especially when the plasma contains an unresolved mixture of velocities, temperatures, and densities. As a result of finite spectral resolution, the intensity measured by a spectrometer is the average intensity across a wavelength bin of non-zero size. It is assigned to the wavelength position at the center of the bin. However, the actual intensity at that discrete position will be different if the profile is curved, as it invariably is. Standard fitting routines (spline, Gaussian, etc.) do not account for this difference, and this can result in significant errors when making sensitive measurements. Detection of asymmetries in solar coronal emission lines is one example. Removal of line blends is another. We have developed an iterative procedure that corrects for this effect. It can be used with any fitting function, but we employ a cubic spline in a new analysis routine called Intensity Conserving Spline Interpolation (ICSI). As the name implies, it conserves the observed intensity within each wavelength bin, which ordinary fits do not. Given the rapid convergence, speed of computation, and ease of use, we suggest that ICSI be made a standard component of the processing pipeline for spectroscopic data.

Klimchuk, J. A.↗

NASA NTRS1993

MinMap: An imaging spectrometer for high resolution compositional mapping of the Moon

MinMap has been selected by the Lunar Scout program to characterize and map the mineral composition of the Moon. The instrument will be built as a collaborative effort between Brown University, SETS Technology Inc., and Ball Aerospace Corp. MinMap is a visible to near-infrared imaging spectrometer that contains 192 spectral channels from 0.35-2.4 microns with signal to noise greater than 200 and 256 cross-track spatial elements. The spectrometer design has a 6 deg field of view (FOV) and utilizes grating dispersive elements and two dimensional detectors (no moving parts). An 'image cube' of data is produced that contains two dimensions of spatial information and one dimension of spectral information. All spectral channels and cross-track spatial elements are recorded simultaneously with spacecraft motion scanning the second spatial dimension. The high spectral resolution and continuous spectral range of MinMap are designed to measure the diagnostic absorption features of principal lunar minerals and their lithologic mixtures. Since the optical properties of lunar materials change in a regular manner upon exposure to the space environment, this spectral range is also quite sensitive to variations in exposure history (soil maturity). Nominal measurement stragegy is to obtain full global data of the Moon at 180 m/pixel from a 450 km polar orbit during the first month or two of operation. A 100 km orbit is anticipated for the remaining part of a 1 year mission allowing higher resolution data (approx. 80 m/pixel) to be obtained for targeted regions. MinMap exceeds LE x SWG's measurement recommendations and will provide the highest spatial resolution compositional map of lunar rocks and soils currently planned for orbital missions. Since all spectral channels are co-registered and obtained simultaneously, 'image cube' data swaths will be available for analysis almost immediately.

Pieters, C. M.↗

NASA NTRS2022

Inferring iron-oxide species content in atmospheric mineral dust from DSCOVR EPIC observations

The iron-oxide content of dust in the atmosphere and most notably its apportionment between hematite (α-Fe2O3) and goethite (α-FeOOH) are key determinants in quantifying dust’s light absorption, its top of atmosphere UV radiances used for dust monitoring, and ultimately shortwave dust direct radiative effects (DRE). Hematite and goethite column mass concentrations and iron-oxide mass fractions of total dust mass concentration were retrieved from the DeepSpace Climate Observatory (DSCOVR) Earth Polychromatic Imaging Camera (EPIC) measurements in the ultraviolet–visible (UV–Vis) channels. The retrievals were performed for dust-identified aerosol plumes over land using aerosol optical depth (AOD) and spectral imaginary refractive index provided by the Multi-Angle Implementation of Atmospheric Correction (MAIAC) algorithm over six continental regions (North America, North Africa, West Asia, Central Asia, EastAsia, and Australia). The dust particles are represented as an internal mixture of non-absorbing host and absorbing hematite and goethite. We use the Maxwell–Garnett effective medium approximation with carefully selected complex refractive indices of hematite and goethite that produce mass fractions of iron oxides species consistent with in situ values found in the literature to derive the hematite and goethite volumetric/mass concentrations from MAIAC EPIC products. We compared the retrieved hematite and goethite concentrations with in situ dust aerosol mineralogical content measurements, as well as with published data. Our data display variations within the published range of hematite, goethite, and iron-oxide mass fractions for pure mineral dust cases. A specific analysis is presented for 15 sites over the main dust source regions. Sites in the central Sahara, Sahel, and Middle East exhibit a greater temporal variability of iron oxides relative to other sites. Niger site(13.52°N, 2.63°E) is dominated by goethite over Harmattan season with median of ~2 weight percentage (wt.%) of iron-oxide. Saudi Arabia site (27.49°N, 41.98°E) over Middle East also exhibited surge of goethite content with the beginning of Shamal season. The Sahel dust is richer in iron-oxide than Saharan and northern China dust except in Summer. The Bodélé Depression area shows a distinctively lower iron-oxide concentration (~1 wt.%) throughout the year. Finally, we show that EPIC data allow to constrain the hematite refractive index. Specifically, we select 5 out of 13 different number of hematite refractive indices widely variable in published laboratory studies by constraining the iron-oxide mass ratio to the known measured values. Provided climatology of hematite and goethite mass fractions across main dust regions of the Earth will be useful for dust shortwave DRE studies and climate modeling.

Sujung Go↗

NASA NTRS1985

Infrared spectroscopic studies of the effect of elevated temperature on the association of pyroglutamic acid with clay and other minerals

Fourier transform i.r. measurements of L-pyroglutamic acid dispersed in a matrix of a clay, silica or alumina have been obtained at various temperatures between 25 and 220 degrees C. The i.r. spectrum of L-pyroglutamic acid varies in a manner dependent upon the matrix material and shows considerable change as the temperature of the mixtures is increased. The differences in the spectrum at elevated temperatures are explained in terms of a chemical reaction between hydroxyl groups in the matrix and the carboxylic acid. The i.r. spectra of trimethylsilyl derivatives of L-pyroglutamic acid and aluminum pyroglutamate were also measured to assist the understanding of spectra and interpretation of the spectral changes dependent upon increasing temperature.

Aluminum Oxide/analysis/chemistry↗

NASA NTRS2021

Cryovolcanic flooding in Viking Terra on Pluto

A prominent fossa trough (Uncama Fossa) and adjacent 28-km diameter impact crater (Hardie) in Pluto's Viking Terra, as seen in the high-resolution images from the New Horizons spacecraft, show morphological evidence of in-filling with a material of uniform texture and red-brown color. A linear fissure parallel to the trough may be the source of a fountaining event yielding a cryoclastic deposit having the same composition and color properties as is found in the trough and crater. Spectral maps of this region with the New Horizons LEISA instrument reveal the spectral signature of H2O ice in these structures and in distributed patches in the adjacent terrain in Viking Terra. A detailed statistical analysis of the spectral maps shows that the colored H2O ice filling material also carries the 2.2-μm signature of an ammoniated component that may be an ammonia hydrate (NH3·nH2O) or an ammoniated salt. This paper advances the view that the crater and fossa trough have been flooded by a cryolava debouched from Pluto's interior along fault lines in the trough and in the floor of the impact crater. The now frozen cryolava consisted of liquid H2O infused with the red-brown pigment presumed to be a tholin, and one or more ammoniated compounds. Although the abundances of the pigment and ammoniated compounds entrained in, or possibly covering, the H2O ice are unknown, the strong spectral bands of the H2O ice are clearly visible. In consideration of the factors in Pluto's space environment that are known to destroy ammonia and ammonia-water mixtures, the age of the exposure is of order ≤109 years. Ammoniated salts may be more robust, and laboratory investigations of these compounds are needed.

Pluto↗

NASA NTRS1993

Analysis of pyroxene absorptions observed in Martian dark regions

We have investigated the mineralogy of the Martian dark regions by analysis of the pyroxene Fe(2+) absorption band near 1.0 micron in a set of VIS/NIR reflectance spectral images. The data used for these analyses were selected from a larger set, extending from 0.44 to 1.02 microns, obtained during the close 1988 opposition and covering substantially all of Mars south of 40 degrees N. This data set is being used in regional mapping of spectral parameters related to surface mineralogy. Martian dark regions are of interest in reconstructing the geologic history because they contain exposures of unaltered or little-altered basaltic crustal material; mapping differences in composition among dark regions could reveal regional or temporal variation in magmatic activity or mantle source composition. Two types of dark regions are seen, with the pyroxene band present and absent; where present, the inferred composition is in the range pigeonite-augite to very high-Fe, low-Ca pyroxene, with a two-pyroxene mixture possible.

Miller, J. S.↗

DOE OSTI2023

Evaluating Retention Index Score Assumptions to Refine GC–MS Metabolite Identification

As metabolomics grows into a high-throughput and high demand research field, current metrics for the identification of small molecules in gas chromatography–mass spectrometry (GC–MS) still require manual verification. Though steps have been taken to improve scoring metrics by combining spectral similarity (SS) and retention index (RI), the problem persists. A large body of literature has analyzed and refined SS scores, but few studies have explicitly studied improvements to RI scores. Here, in this study, we examined whether uninvestigated assumptions of the RI score are valid and propose ways to improve them. Query RIs were matched to library RI with a generous window of ±35 to avoid unintentional removal of valid compound identifications. Each match was manually verified as a true positive (TP), true negative, or unknown. Metabolites with at least 30 TP identifications were included in downstream analyses, resulting in a total of 87 metabolites from samples of varying complexity and type (e.g., amino acid mixtures, human urine, fungal species, and so on.). Our results showed that the RI score assumptions of normality, consistent variance across metabolites, and a mean error centered at 0 are often violated. We demonstrated through a cross-validation analysis that modifying these underlying assumptions according to empirical metabolite-specific distributions improved the TP and negative rankings. Further, we statistically determined the minimum number of samples required to estimate distributional parameters for scoring metrics. Overall, this work proposes a robust statistical pipeline to reduce the time bottleneck of metabolite identification by improving RI scores and thus minimize the effort to complete manual verification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2013

Urban Image Classification: Per-Pixel Classifiers, Sub-Pixel Analysis, Object-Based Image Analysis, and Geospatial Methods: Chapter - 10

Remote sensing methods used to generate base maps to analyze the urban environment rely predominantly on digital sensor data from space-borne platforms. This is due in part from new sources of high spatial resolution data covering the globe, a variety of multispectral and multitemporal sources, sophisticated statistical and geospatial methods, and compatibility with GIS data sources and methods. The goal of this chapter is to review the four groups of classification methods for digital sensor data from space-borne platforms; per-pixel, sub-pixel, object-based (spatial-based), and geospatial methods. Per-pixel methods are widely used methods that classify pixels into distinct categories based solely on the spectral and ancillary information within that pixel. They are used for simple calculations of environmental indices (e.g., NDVI) to sophisticated expert systems to assign urban land covers. Researchers recognize however, that even with the smallest pixel size the spectral information within a pixel is really a combination of multiple urban surfaces. Sub-pixel classification methods therefore aim to statistically quantify the mixture of surfaces to improve overall classification accuracy. While within pixel variations exist, there is also significant evidence that groups of nearby pixels have similar spectral information and therefore belong to the same classification category. Object-oriented methods have emerged that group pixels prior to classification based on spectral similarity and spatial proximity. Classification accuracy using object-based methods show significant success and promise for numerous urban 3 applications. Like the object-oriented methods that recognize the importance of spatial proximity, geospatial methods for urban mapping also utilize neighboring pixels in the classification process. The primary difference though is that geostatistical methods (e.g., spatial autocorrelation methods) are utilized during both the pre- and post-classification steps. Within this chapter, each of the four approaches is described in terms of scale and accuracy classifying urban land use and urban land cover; and for its range of urban applications. We demonstrate the overview of four main classification groups in Figure 1 while Table 1 details the approaches with respect to classification requirements and procedures (e.g., reflectance conversion, steps before training sample selection, training samples, spatial approaches commonly used, classifiers, primary inputs for classification, output structures, number of output layers, and accuracy assessment). The chapter concludes with a brief summary of the methods reviewed and the challenges that remain in developing new classification methods for improving the efficiency and accuracy of mapping urban areas.

Myint, Soe W.↗

DOE OSTI2019

High-resolution infrared spectroscopy of jet cooled trans -deuteroxycarbonyl ( trans -DOCO) radical

The rovibrational spectrum of jet cooled trans-deuteroxycarbonyl (trans-DOCO) radical has been explored at suppressed-Doppler resolution via direct infrared absorption spectroscopy. The trans-DOCO is produced in a supersonic slit discharge of rare-gas/CO mixture doped with D 2 O, whereby the OD forms an energized adduct with CO, cooling in the supersonic expansion and stabilizing DOCO in the trans well. Active laser-frequency stabilization and collisional quenching of Doppler broadening along the slit axis yield <10 MHz frequency precision, with the absorbance noise approaching the quantum shot-noise limit. The current high-resolution spectral results are in excellent agreement with recent studies of the trans-DOCO radical by infrared frequency comb spectroscopy under room temperature conditions [Bui et al., Mol. Phys. 116, 3710 (2018)]. Combined with previous microwave/millimeter wave rotational studies, the suppressed-Doppler infrared data permit characterization of the vibrational ground state, improved structural parameters for the OD stretch vibrational level, and trans-DOCO spin-rotation information in both ground and excited vibrational states. Additionally, the infrared data reveal a-type and much weaker b-type contributions to the spectrum, analysis of which yields orientation of the OD stretch transition dipole moment in the body fixed frame. Of dynamical interest is whether the nascent trans-DOCO complex formed in the entrance channel has sufficient time to convert into the cis-DOCO isomer, or whether this is quenched by rapid stabilization into the trans-DOCO well. Finally, ab initio and Rice–Ramsperger–Kassel–Marcus analysis of the intrinsic reaction coordinate for trans-DOCO to cis-DOCO interconversion rates supports the latter scenario, which helps explain the failure of previous high resolution infrared efforts to detect cis-hydroxycarbonyl.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

First Optical Constants from 0.4 to 1.6 µm of Titan Aerosol Analogs Produced in the NASA Ames COSmIC Facility and Their Use in a New Analysis of Cassini VIMS Observations

We have determined the real and imaginary refractive indices (n and k, respectively), from the visible to the near infrared (0.4 to 1.6 μm), of five laboratory-generated organic refractory materials produced from gas-phase chemistry with the NASA Ames COSmIC facility. The solid samples were produced using a plasma discharge in the stream of a 200-K supersonic jet-cooled expansion of different gas mixtures to study the impact of the molecular precursors on the solid sample optical properties. Three samples were produced from N2:CH4 (95:5) gas mixtures using three different high voltages (700V, 800V and 1000V) to vary the energy in the plasma discharge. One sample was produced from a N2:CH4:C2H2 (94:5:5:0.5) gas mixture, with a high voltage of 1000 V. The fifth sample was produced in an Ar:CH4 (95:5) gas mixture with a high voltage of 1000 V to produce a nitrogen-free hydrocarbon sample. The optical constants, n and k, of these five samples were determined using spectral reflectance measurements. They appear to be positively correlated with the nitrogen content in the solid sample, i.e., a sample with larger nitrogen content exhibits higher n and k values. We have used these refractive indices as input parameters in a radiative transfer model to analyze Cassini Visible Infrared Mapping Spectrometer (VIMS) observations of Titan’s atmosphere. The results show that using the tholin samples with higher n and k values (higher nitrogen content) provides a better fit to the observational data than using the samples with lower n and k values (lower nitrogen content). The Titan tholins with higher nitrogen content therefore appear to be more representative of the Titan aerosols observed by VIMS.

Titan Aerosol Analogs↗

NASA NTRS1999

Signal generation and mixing electronics for frequency-domain lifetime and spectral fluorometry

The present invention additionally comprises a method and apparatus for generating and mixing signals for frequency-domain lifetime and spectral fluorometry. The present invention comprises a plurality of signal generators that generate a plurality of signals where the signal generators modulate the amplitude and/or the frequency of the signals. The present invention uses one of these signals to drive an excitation signal that the present invention then directs and transmits at a target mixture, which absorbs the energy from the excitation signal. The property of fluorescence causes the target mixture to emit an emitted signal that the present invention detects with a signal detector. The present invention uses a plurality of mixers to produce a processor reference signal and a data signal. The present invention then uses a processor to compare the processor reference signal with the data signal by analyzing the differences in the phase and the differences in the amplitude between the two signals. The processor then extracts the fluorescence lifetime and fluorescence spectrum of the emitted signal from the phase and amplitude information using a chemometric analysis.

Cruce, Tommy C.↗