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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

A Search for Structure in PAH Emission in Extended Sources at 3.3 and 3.4 Microns

We have observed three extended sources of the infrared emission features associated with polycyclic aromatic hydrocarbons (PAHs), using a 128x128 InSb array mounted on the 1.5 m NASA/Steward telescope on Mt. Lemmon. We used a CVF (1.5% bandpass) to isolate the emission from the 3.29 and 3.40 microns PAH features in NGC 1333 #3, Sharpless 106, and the Orion Bar. In all three sources, the 3.29 and 3.40 microns emission features arise from the same regions, but show decidedly different structure. We are analyzing the images to determine the relationship of the 3.40 microns feature to the main feature at 3.29 microns. The 3.40 microns feature may be a vibrational overtone of the 3.29 microns feature, or it may arise from attached molecular sidegroups.

Bregman, Jesse↗
NASA NTRS2011

Wide-Field Infrared Survey Explorer Observations of the Evolution of Massive Star-Forming Regions

We present the results of a mid-infrared survey of 11 outer Galaxy massive star-forming regions and 3 open clusters with data from the Wide-field Infrared Survey Explorer (WISE). Using a newly developed photometric scheme to identify young stellar objects and exclude extragalactic contamination, we have studied the distribution of young stars within each region. These data tend to support the hypothesis that latter generations may be triggered by the interaction of winds and radiation from the first burst of massive star formation with the molecular cloud material leftover from that earlier generation of stars.We dub this process the "fireworks hypothesis" since star formation by this mechanism would proceed rapidly and resemble a burst of fireworks.We have also analyzed small cutout WISE images of the structures around the edges of these massive star-forming regions. We observe large (1-3 pc size) pillar and trunk-like structures of diffuse emission nebulosity tracing excited polycyclic aromatic hydrocarbon molecules and small dust grains at the perimeter of the massive star-forming regions. These structures contain small clusters of emerging Class I and Class II sources, but some are forming only a single to a few new stars.

Koenig, X. P.↗
NASA NTRS2021

An Unbiased CO Survey toward the Northern Region of the Small Magellanic Cloud with the Atacama Compact Array. I. Overview: CO Cloud Distributions

We have analyzed the data from a large-scale CO survey toward the northern region of the Small Magellanic Cloud (SMC) obtained with the Atacama Compact Array (ACA) stand-alone mode of ALMA. The primary aim of this study is to comprehensively understand the behavior of CO as an H2 tracer in a low-metallicity environment (Z ∼ 0.2 Zꙩ). The total number of mosaic fields is ∼8000, which results in a field coverage of 0.26 sq.deg (∼2.9 ×10^(5) sq.pc), corresponding to ∼10% of the area of the galaxy. The sensitive ∼2 pc resolution observations reveal the detailed structure of the molecular clouds previously detected in the single-dish NANTEN survey. We have detected a number of compact CO clouds within lower H2 column density (∼10^(20) per sq.cm) regions whose angular scale is similar to the ACA beam size. Most of the clouds in this survey also show peak brightness temperature as low as <1 K, which for optically thick CO emission implies an emission size much smaller than the beam size, leading to beam dilution. The comparison between an available estimation of the total molecular material traced by thermal dust emission and the present CO survey demonstrates that more than ∼90% of H(2) gas cannot be traced by the low-J CO emission. Our processed data cubes and 2D images are publicly available.

Kazuki Tokuda↗
NASA NTRSDate not supplied

Luminescence Imager for Exploration

The Luminescence Imager for Exploration (LIfE) is an automated bright-field and epifluorescence microscope designed identify and characterize morphological and textural indicators of life and to identify, resolve, and characterize microscale structural features indicative of cells and cell fragments. To achieve these objectives, LIfE uses visible light to image organic and inorganic structures with submicron resolution, combined with, deep ultraviolet (DUV), ultraviolet (UV), and visible-light excitation for autofluorescence characterization of sample organic and mineral content. LIfE also autonomously manipulates samples to stain key molecular and structural indicators of microbial life (e.g., proteins, lipids, and nucleic acids) for fluorescence microscopic detection.

R C Quinn↗
NASA NTRS2022

Development of an Effective Finite-rate Oxidation Model for NuSil-coated Charred Carbon Preform Ablators

Recently, a detailed effective finite-rate surface chemistry model was developed for the oxidation of FiberForm [1] using the molecular beam experimental data of Poovathingal et al., [2]. FiberForm is the major building block of the thermal protection system (TPS) material Phenolic Impregnated Carbon Ablator (PICA), commonly used by NASA. The surface chemistry model consists of detailed surface reaction mechanisms such as adsorption, desorption, and several types of Langmuir-Hinshelwood (LH) reactions to characterize the oxygen-carbon interactions at the surface. This model provides excellent agreement with the experimental data for oxidation product compositions and corresponding translational energy distributions. Further, an effective oxidation model was constructed that captures the equivalent interaction of oxygen inside the microstructure (including multiple surface collisions) via a modified reactivity for a smooth wall boundary condition. This enables the use of this model directly into Computational Fluid Dynamics (CFD) codes and Material Response (MR) codes to accurately simulate the gas–surface interactions within FiberForm without using the detailed micro-structure. However, this effective model is valid only for the virgin FiberForm. As the TPS material undergoes ablation, the preform carbon burns and turns into char. In addition, PICA is also coated with a protective silicon coating called NuSil for the purpose of mitigating the spread of phenolic dust, and limit contamination during clean room operations. Fig. 1 shows a X-ray microtomography image of a charred NuSil-coated PICA. The NuSil layer introduces species containing silicon into the product mixture. Further, the reactivity of the carbon within the char layer is different from the virgin FiberForm as shown in Fig. 2. Recently a new set of molecular beam experiments were performed on this NuSil-coated TPS material [3] with the same type of oxygen beam used in the previous experiments. Using the latest experimental data, the previously developed effective model will be extended to account for the charred carbon as well as the NuSil coating. Finally, this new effective model with three phases – preform carbon, char, and NuSil; will be compared and validated against the experimental product compositions.

K Swaminathan Gopalan↗
NASA NTRS1999

Determining the Molecular Growth Mechanisms of Protein Crystal Faces by Atomic Force Microscopy

A high resolution atomic force microscopy (AFM) study had shown that the molecular packing on the tetragonal lysozyme (110) face corresponded to only one of two possible packing arrangements, suggesting that growth layers on this face were of bimolecular height. Theoretical analyses of the packing also indicated that growth of this face should proceed by the addition of growth units of at least tetramer size corresponding to the 43 helices in the crystal. In this study an AFM linescan technique was devised to measure the dimensions of individual growth units on protein crystal faces as they were being incorporated into the lattice. Images of individual growth events on the (110) face of tetragonal lysozyme crystals were observed, shown by jump discontinuities in the growth step in the linescan images as shown in the figure. The growth unit dimension in the scanned direction was obtained from these images. A large number of scans in two directions on the (110) face were performed and the distribution of lysozyme growth unit sizes were obtained. A variety of unit sizes corresponding to 43 helices, were shown to participate in the growth process, with the 43 tetramer being the minimum observed size. This technique represents a new application for AFM allowing time resolved studies of molecular process to be carried out.

Nadarajah, Arunan↗
DOE OSTI2025

Two-dimensional burn velocity and analysis of burn products of nitromethane at high pressure

We have studied the laser-initiated deflagration of nitromethane (CH 3 NO 2 ) under high static pressure in the diamond anvil cell. Time-resolved images of the deflagrations have been obtained using intensified CCDs (ICCD). In contrast with previous work, we rely on spontaneous emission from the reaction, rather than changes in the speckle pattern produced by artificial illumination of the sample. Furthermore, as opposed to the 1D records obtained previously with streak cameras, ICCDs permit imaging of the burn in two dimensions providing the ability to directly observe anisotropic deflagration behavior. Here, we report several examples of this behavior and discuss its possible origins. We have also investigated the products of the reaction using Raman spectroscopy. At pressures below 25 GPa, the burn product is observed to be opaque and has a Raman spectrum consistent with a carbonaceous soot. At pressures above 25 GPa, the burn product is observed to be transparent (consistent with earlier reports) and its Raman spectrum reveals the presence of molecular N 2 and a nitrogen-carbonate species. The latter species can be recovered to ambient pressure and has a Raman spectrum consistent with ammonium carbonate or ammonium bicarbonate. To aid interpretation of the Raman spectra, measurements have also been made on the isotopologues CH 3 15 NO 2 and 13 CH 3 NO 2 . This work establishes the importance of advanced time-resolved imaging to reveal the details of deflagration under high pressure and further advances our understanding of the corresponding chemistry.

Deflagration↗
DOE OSTI2023

Structure-Driven Liquid Microjunction Surface-Sampling Probe Mass Spectrometry

The rhizosphere is the narrow region of soil surrounding the roots of plants that is influenced by root exudates, root secretions, and associated microbial communities. This region is crucial to plant growth and development and plays a critical role in nutrient uptake, disease resistance, and soil transformation. Understanding the function of exogenous compounds in the rhizosphere starts with determining the spatiotemporal distribution of these molecular components. Using liquid microjunction surface-sampling probe mass spectrometry (LMJ-SSP-MS) and microfluidic devices with attached microporous membranes enables in situ, nondisruptive, and nondestructive spatiotemporal measurement of exogenous compounds from plant roots. However, long imaging times (>2 h) can negatively affect plant heath and limit temporal studies. Here, we present a novel strategy to optimize the number and location of sampling sites on these microporous membrane-covered microfluidic devices. In conclusion, this novel, “structure-driven” sampling workflow takes into consideration the channel structure of the microfluidic device to maximize sampling from the channels and minimize acquisition time (~4× less time in some cases while providing similar chemical image accuracy), thus reducing stress on plants during in situ LMJ-SSP-MS analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

X-Raying Molecular Clouds

Dense interstellar clouds are known to consist almost entirely of molecular hydrogen gas which is, however, normally not observable directly. We have developed a new method for measuring gas column density through its X-ray absorption. The latest data analysis software has been implemented to correct for both exposure and flat- fielding and to subtract various non-cosmic background from individual images. The ROSAT PSPC observations on the R CrA cloud have been merged into maps in three broad energy bands, with corrections for residual differential background between the observations. Individual sources have been detected and removed from these maps. We have then applied the shadowing technique to derive the first column density map based on X-ray data alone. We have conducted various tests to access systematic errors, including possible background intensity variations. We have also proposed a NRAO 12m telescope mapping of the CO distribution in the R CrA cloud. This mapping will supplement our X-ray measurement to allow for a direct calibration of the Co-to-H2 conversion ratio. We use a multi-energy band X-ray shadowing technique to measure the total column density distribution of molecular clouds.

Wang, Q. Daniel↗
DOE OSTI2025

Comparison of atomized mass and crater volume in laser ablation

The extent and dynamics of laser ablation are typically studied using crater imaging or by invoking the relationship between atomic emission and the mass removed. The former is a static view of a dynamic process and requires the accumulation of multiple shots in one location. The latter is complex and not absolute without calibration of the optical system with a standard of spectral radiance. We measure the mass of the atomized plume by laser atomic-absorption spectroscopy at 2 µs without external mass calibration; mass uncertainty in laser-ablation atomic absorption spectroscopy (LA-AAS) results from uncertainties in line area fitting, tabulated oscillator strengths, and partition functions as well as a <10% underrepresentation of the mass due to treating the plasma as a single thermodynamic equilibrium. The LA-AAS-measured mass pertains to the atoms in the probed charge states and does not include condensed or molecular species. The ablation efficiency at 300 mbar of helium varies significantly between the two focusing conditions used. A comparison of crater-derived masses and LA-AAS masses suggests that more defocused ablation may result in significant redeposition of material in the crater, distorting the conclusions from drilling studies and crater imaging. More focused ablation conditions result in crater-derived masses that exceed those measured with LA-AAS and suggest melt expulsion or phase explosion.

Merten, Jonathan [Arkansas State University, Jones↗
NASA NTRS1982

The AFGL molecular line Atlases

There are two compilations: the main Atlas and the Trace Gas Atlas. The main Atlas includes the major absorbers in the Earth's atmosphere. The main Atlas includes about 150,000 lines (the Trace Gas Atlas is 30-40,000 at the moment). The information on each Atlas is essentially a card image per line, which includes the frequency (in vacuum wavenumbers) of the transition, the line strength at a standard temperature of 296 Kelvin, and the half width of the line.

Rothman, L. S.↗
DOE OSTI2020

Molecular insights into photostability of fluorinated organic photovoltaic blends: role of fullerene electron affinity and donor–acceptor miscibility

In this report, the photostability of certain organic photovoltaic (OPV) active layers was demonstrated to improve by as much as a factor of five under white light illumination in air with the use of 1,7-bis-trifluoromethylfullerene (C 60 (CF 3 ) 2 ) as the acceptor in place of PC 60 BM. However, the results were highly dependent on the structure and functionality within the donor material. Twelve combinations of active layer blends were studied, comprised of six different high-performance donor polymers (two fluorinated and four non-fluorinated donors) and two fullerene acceptors (PC 60 BM and C 60 (CF 3 ) 2 ). The relative rates of irreversible photobleaching of the active layer blends were found to correlate well with the electron affinity of the fullerene when the polymer and fullerene were well blended, but a full rationalization of the photobleaching data requires consideration of both the electron affinity of the fullerene as well as the relative miscibility of the polymer–fullerene components in the blend. Miscibility of those components was probed using a combination of time-resolved photoluminescence (TRPL) measurements and scanning tunneling microscopy (STM) imaging. The presence of fluorinated aromatic units in the donor materials tend to promote more intimate mixing with C 60 (CF 3 ) 2 as compared to PC 60 BM. The full results of these photobleaching studies and measurements of donor–acceptor miscibility, considered alongside additional photoconductance measurements and preliminary device work, provide new molecular optimization insights for improving the long-term stability of OPV active layers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Molecular Simulations of the Chain Length Dependent Adsorption of C7‐C14 n ‐Alkanes in ZIF‐8

Recent experiments show that the diffusivities of C8 and C10 n-alkanes in ZIF-8 are higher than those of C7 and C9, respectively. We investigated this unusual ‘odd-even' effect by simulating the adsorption of C7-C14 n-alkanes in ZIF-8 using hybrid Monte Carlo molecular simulations. The resultant adsorption isotherms, guest-host energies, isosteric heats, and chain length distributions are analyzed for trends among the n-alkanes. ZIF-8 cages filled with n-alkanes are characterized using a combination of image processing and data science to quantify the differences in packing that occur with chain length. In conclusion, results indicate that packing changes drastically from C7 to C8 and from C9 to C10, which is consistent with the diffusion trends previously reported in experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices

Polarizable nanoparticles are of interest in materials science because of their rich and complex phase behavior that can be used to engineer nanostructured materials with long-range crystalline order. To understand and rationally navigate the design space of polarizable nanoparticles for self-assembling highly ordered superlattices, we developed a coarse-grained computational model to describe the nanoparticle-nanoparticle interactions in implicit solvent and employ the computationally efficient image method to model many-body polarization interactions. We conducted high-throughput virtual screening over a five-dimensional particle design space spanned by temperature, particle size, particle charge, particle dielectric, and solvent dielectric using enhanced sampling molecular dynamics calculations within an active learning framework to efficiently map out the regions of thermodynamic stability of the self-assembled aggregates. We validate our predictions in comparisons against small angle x-ray scattering measurements of gold nanoparticles surface functionalized with metal chalcogenide ligands. Lastly, we use our validated phase maps to computationally design switchable nanostructured materials capable of triggered assembly and disassembly as a function of temperature and solvent dielectric with potential applications as sensors, smart windows, optoelectronic devices, and in medical diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Gas temperature and density measurements based on spectrally resolved Rayleigh-Brillouin scattering

The use of molecular Rayleigh scattering for measurements of gas density and temperature is evaluated. The technique used is based on the measurement of the spectrum of the scattered light, where both temperature and density are determined from the spectral shape. Planar imaging of Rayleigh scattering from air using a laser light sheet is evaluated for ambient conditions. The Cramer-Rao lower bounds for the shot-noise limited density and temperature measurement uncertainties are calculated for an ideal optical spectrum analyzer and for a planar mirror Fabry-Perot interferometer used in a static, imaging mode. With this technique, a single image of the Rayleigh scattered light can be analyzed to obtain density (or pressure) and temperature. Experimental results are presented for planar measurements taken in a heated air stream.

Seasholtz, Richard G.↗
NASA NTRS1995

An improved spectral calibration requirement for AVIRIS

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) measures spectra from 400 to 2500 nm through 224 contiguous spectral channels. These spectra are used to identify and determine the abundances of constituents of the earth's surface and atmosphere through the analysis of spectral molecular absorptions and scattering properties of materials. Spectral calibration of the AVIRIS is required to pursue these determinations, which are based on these fundamental spectral characteristics. The spectral calibration of AVIRIS consists of a description of the spectral response function for each of the 224 spectral channels. The spectral response function of AVIRIS channels was measured in the laboratory and shown to be Gaussian in shape. A subset of nine AVIRIS spectral channels is shown with channel centers at 10 nm intervals and channel shapes of Gaussian form with 10 nm full width and half maximum (FWHM). For AVIRIS the spectral calibration is described by the spectral center and FWHM of a Gaussian function for each channel. Uncertainty in the determination of the spectral center and FWHM for each channel are also reported. This paper presents results from an investigation of the sensitivity of AVIRIS-measured upwelling radiance to errors in spectral calibration. Based on this sensitivity analysis in conjunction with earlier work, an improved spectral calibration requirement for AVIRIS is proposed.

Green, Robert O.↗