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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1977

The extreme ultraviolet /750-1230 A/ spectrum of an aurora

Extreme ultraviolet auroral spectra have been obtained in the wavelength range of 750-1230 A resolution with a rocket-borne grating spectrometer. Atomic emissions of N I, N II, O I and O II are the dominant features along with geocoronal H I Lyman alpha. N2 emission bands, which appear strongly in laboratory electron impact spectra, appear only as a modest background continuum between 900 to 1100 A. The observed intensities are consistent with electron impact excitation of O and N2. For optically thick emissions, such as N I at 1200 A, radiation transport along the arc results in an intensity enhancement when viewed through the arc towards the zenith.

Park, H.↗
NASA NTRS1982

Infrared spectra of galactic center sources

Absorption due to CO and emission from atomic hydrogen and neutral helium observed in high resolution 2-micron spectra of five compact sources in the central parsec of the galaxy furnish information concerning the condition, distribution and kinematics of red giant stars and ionized gas in the galactic core. It is found that all three red giant sources observed are blueshifted, and that there are no detectable absorptions in the continuum of the central source IRS 16.

Wollman, E. R.↗
NASA NTRS2002

Photoionization of the Fe lons: Structure of the K-Edge

X-ray absorption and emission features arising from the inner-shell transitions in iron are of practical importance in astrophysics due to the Fe cosmic abundance and to the absence of traits from other elements in the nearby spectrum. As a result, the strengths and energies of such features can constrain the ionization stage, elemental abundance, and column density of the gas in the vicinity of the exotic cosmic objects, e.g. active galactic nuclei (AGN) and galactic black hole candidates. Although the observational technology in X-ray astronomy is still evolving and currently lacks high spectroscopic resolution, the astrophysical models have been based on atomic calculations that predict a sudden and high step-like increase of the cross section at the K-shell threshold (see for instance. New Breit-Pauli R-matrix calculations of the photoionization cross section of the ground states of Fe XVII in the region near the K threshold are presented. They strongly support the view that the previously assumed sharp edge behaviour is not correct. The latter has been caused by the neglect of spectator Auger channels in the decay of the resonances converging to the K threshold. These decay channels include the dominant KLL channels and give rise to constant widths (independent of n). As a consequence, these series display damped Lorentzian components that rapidly blend to impose continuity at threshold, thus reformatting the previously held picture of the edge. Apparent broadened iron edges detected in the spectra of AGN and galactic black hole candidates seem to indicate that these quantum effects may be at least partially responsible for the observed broadening.

Palmeri, P.↗
NASA NTRS1997

Changes in Thermospheric O/N2 Derived from UVI Auroral Images

A rigorous test of our understanding of the coupled ionosphere-thermosphere and its response to geomagnetic storms is the ability to reproduce observed storm effects as seen in the ionosphere and neutral atmosphere. The concept of compositional change is central to studies of thermosphere response to storm conditions. In particular, information about compositional change within the highly dynamic auroral region is limited. The Ultraviolet Imager (UVI) is designed to view the full auroral region using five filters to isolate emissions from atomic oxygen (1304 and 1356) and N2 LBH. This spectral resolution allows auroral energy characteristics to be derived by two separate methods from examining ratios of observed intensities (OI 1356/LBHL or LBHS/LBHL). The LBHS:LBHL ratio is typically used as the mean energy diagnostic since the OI 1356 emission is dependent on changes in the atomic oxygen density, and these changes relative to N2 can be large. However, once the mean energy has been specified by the LBH ratio, this variability in OI 1356 emission can be exploited as a direct diagnostic of total atomic oxygen column density. This opens the potential of using UVI images to monitor the temporal and spatial response of thermospheric O to high latitude forcing within the auroral regions. Initial results of this type of analysis will be presented along with discussion of its limitations and capabilities.

Germany, G. A.↗
DOE OSTI2026

Data for Photoenzymatic Stereoablative Enantioconvergence of γ-chiral Oximes via Hydrogen Atom Transfer

Producing enantioenriched molecules from racemic mixtures is essential for manufacturing. Traditional methods such as resolution, deracemization and enantioconvergent catalysis primarily involve separating or converting enantiomers without altering their structures, or functionalization of stereocentres at or proximal to functional groups. However, there are challenges in enantioselectively forging C–H bonds that are remote from functional groups via hydrogen atom transfer (HAT) with these methods. Here we introduce a strategy for the photoenzymatic stereoablative enantioconvergence of γ-chiral oximes using repurposed flavin-dependent ene-reductases. A photoinduced single-electron reduction of the γ-chiral oxime by an ene-reductase generates an iminyl radical, which then undergoes stereoablative 1,5-HAT at the γ-stereocentre. Subsequent chiral reconstruction through enzymatic HAT and spontaneous imine hydrolysis yields the γ-chiral ketone with high enantioselectivity. This work provides a robust method for remote stereoablative enantioconvergent HAT and broadens the synthetic utility of photobiocatalysis.

Bioproducts↗
NASA NTRS2000

Basic Modeling of the Solar Atmosphere and Spectrum

During the last three years we have continued the development of extensive computer programs for constructing realistic models of the solar atmosphere and for calculating detailed spectra to use in the interpretation of solar observations. This research involves two major interrelated efforts: work by Avrett and Loeser on the Pandora computer program for optically thick non-LTE modeling of the solar atmosphere including a wide range of physical processes, and work by Kurucz on the detailed high-resolution synthesis of the solar spectrum using data for over 58 million atomic and molecular lines. Our objective is to construct atmospheric models from which the calculated spectra agree as well as possible with high-and low-resolution observations over a wide wavelength range. Such modeling leads to an improved understanding of the physical processes responsible for the structure and behavior of the atmosphere.

Avrett, Eugene H.↗
DOE OSTI2026

Low Temperature Oxygen Activation on the NiAg(100) Single-Atom Alloy Surface

Silver-catalyzed ethylene epoxidation remains the only industrially viable route for ethylene oxide (EO) production. However, this process requires chlorine and other promoters to achieve a high EO selectivity while still generating substantial CO 2 emissions. A recent theory-guided approach identified Ni, in single-atom alloy (SAA) form, as a new promoter of this reaction. Specifically, the addition of Ni to Ag nanoparticles supported on α-Al 2 O 3 at a highly diluted ratio (1 Ni per 200 Ag atoms) increased catalyst selectivity to EO by ∼25%, the same increase afforded by the ubiquitous industrial promoter chlorine. To better understand the effect of Ni, we investigated the interaction of O 2 with NiAg(100) SAA surfaces by using scanning tunneling microscopy (STM) and density functional theory (DFT). While only molecular O 2 was present when pure Ag(100) was exposed to O 2 at 78 K, a distinct NiO 2 species, indicative of O 2 dissociation at Ni atom sites, was identified on the NiAg(100) SAA under the same conditions. High-resolution STM imaging backed by DFT simulations elucidated the formation of an O−Ni−O species with the oxygen atoms in 4-fold hollow sites. These findings provide direct experimental evidence that Ni atoms are very effective at O 2 activation, even at cryogenic temperatures. This suggests that, in addition to the known role of Ni in stabilizing the unselective nucleophilic oxygen on Ag, it could also accelerate O 2 dissociation, which can be rate limiting.

Catalysts↗
DOE OSTI2026

Nitrogenated Graphene Quantum Dot-Derived Copper Single-Atom Catalyst for Oxygen Reduction Reaction

Despite the promise of fuel cells as sustainable energy conversion technologies, their widespread adoption is hindered by the high cost of platinum group metal (PGM) catalysts, particularly for catalyzing the oxygen reduction reaction (ORR) at the cathode. Here, we report copper-based single-atom catalysts (Cu-SACs) as cost-effective non-PGM alternatives for ORR. The catalysts were synthesized via simple pyrolysis of pyrene-derived amine-terminated graphene quantum dots (GQDs) in the presence of nitrogen and metal precursors. The abundant nitrogen functionality in GQDs effectively stabilized isolated Cu atoms during their conversion to porous carbon. A subsequent acid-washing step yielded a high density of atomically dispersed Cu active sites. X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and high-resolution scanning transmission electron microscopy (HR-STEM) confirmed the effective incorporation of isolated Cu atoms into the carbon matrix through copper–nitrogen (Cu-N) coordination. Electrochemical measurements revealed excellent ORR activity with a dominant four-electron pathway. This synthetic strategy provides a practical route to developing economically viable, non-precious metal catalysts.

catalysts↗
NASA NTRS2011

Wind and Temperature Spectrometry of the Upper Atmosphere in Low-Earth Orbit

Wind and Temperature Spectrometry (WATS) is a new approach to measure the full wind vector, temperature, and relative densities of major neutral species in the Earth's thermosphere. The method uses an energy-angle spectrometer moving through the tenuous upper atmosphere to measure directly the angular and energy distributions of the air stream that enters the spectrometer. The angular distribution gives the direction of the total velocity of the air entering the spectrometer, and the energy distribution gives the magnitude of the total velocity. The wind velocity vector is uniquely determined since the measured total velocity depends on the wind vector and the orbiting velocity vector. The orbiting spectrometer moves supersonically, Mach 8 or greater, through the air and must point within a few degrees of its orbital velocity vector (the ram direction). Pointing knowledge is critical; for example, pointing errors 0.1 lead to errors of about 10 m/s in the wind. The WATS method may also be applied without modification to measure the ion-drift vector, ion temperature, and relative ion densities of major ionic species in the ionosphere. In such an application it may be called IDTS: Ion-Drift Temperature Spectrometry. A spectrometer-based coordinate system with one axis instantaneously pointing along the ram direction makes it possible to transform the Maxwellian velocity distribution of the air molecules to a Maxwellian energy-angle distribution for the molecular flux entering the spectrometer. This implementation of WATS is called the gas kinetic method (GKM) because it is applied to the case of the Maxwellian distribution. The WATS method follows from the recognition that in a supersonic platform moving at 8,000 m/s, the measurement of small wind velocities in the air on the order of a few 100 m/s and less requires precise knowledge of the angle of incidence of the neutral atoms and molecules. The same is true for the case of ion-drift measurements. WATS also provides a general approach that can obtain non-equilibrium distributions as may exist in the upper regions of the thermosphere, above 500 km and into the exosphere. Finally, WATS serves as a mass spectrometer, with very low mass resolution of roughly 1 part in 3, but easily separating atomic oxygen from molecular nitrogen.

Herrero, Federico↗
DOE OSTI2024

Resonant inelastic x-ray scattering in warm-dense Fe compounds beyond the SASE FEL resolution limit

Resonant inelastic x-ray scattering (RIXS) is a widely used spectroscopic technique, providing access to the electronic structure and dynamics of atoms, molecules, and solids. However, RIXS requires a narrow bandwidth x-ray probe to achieve high spectral resolution. The challenges in delivering an energetic monochromated beam from an x-ray free electron laser (XFEL) thus limit its use in few-shot experiments, including for the study of high energy density systems. Here we demonstrate that by correlating the measurements of the self-amplified spontaneous emission (SASE) spectrum of an XFEL with the RIXS signal, using a dynamic kernel deconvolution with a neural surrogate, we can achieve electronic structure resolutions substantially higher than those normally afforded by the bandwidth of the incoming x-ray beam. We further show how this technique allows us to discriminate between the valence structures of Fe and Fe2O3, and provides access to temperature measurements as well as M-shell binding energies estimates in warm-dense Fe compounds.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1987

Remote sensing of atomic oxygen - Some observational difficulties in the use of the forbidden O I 1173-A and O I 1641-A transitions

Recent sounding rocket and satellite studies suggest that simultaneous measurements of the O I 989-A and 1304-A resonance lines and of the forbidden 1172.6-A and 1641.3-A transitions would form the basis of a useful remote sensing technique for measuring the O I density and optical opacity of a planetary or stellar atmosphere. Because the 1172.6-A and 1641.3-A emissions are weak lines and are emitted in a wavelength region rich in spectral features, it is important to determine whether typical flight instruments can make measurements with sufficient spectral purity so that the remote sensing observations will yield accurate results. A detailed, high-resolution study of the far UV emission features in the regions surrounding the atomic oxygen transitions at 1172.6 and 1641.3 A was made. These spectra, which were excited by electron impact on O2 and N2, are presented in an attempt to display some potential sources of interference in aeronomical measurements of these O I lines. Both atomic and molecular emissions are found, and the spectral resolution necessary to make unambiguous measurements is discussed.

Erdman, P. W.↗
DOE OSTI2025

Visible-to-THz near-field nanoscopy

Optical microscopy has a key role in research, development and quality control across a wide range of scientific, technological and medical fields. However, diffraction limits the spatial resolution of conventional optical instruments to about half the illumination wavelength. A technique that surpasses the diffraction limit in the wide spectral range between visible and terahertz frequencies is scattering-type scanning near-field optical microscopy (s-SNOM). The basis of s-SNOM is an atomic force microscope in which the tip is illuminated with light from the visible to the terahertz spectral range. By recording the elastically tip-scattered light while scanning the sample below the tip, s-SNOM yields near-field optical images with a remarkable resolution of 10 nm, simultaneously with the standard atomic force microscopic topography image. This resolution is independent of the illumination wavelength, rendering s-SNOM a versatile nanoimaging and nanospectroscopy technique for fundamental and applied studies of materials, structures and phenomena. This Review presents an overview of the fundamental principles governing the measurement and interpretation of near-field contrasts and discusses key applications of s-SNOM. We also showcase emerging developments that enable s-SNOM to operate under various environmental conditions, including cryogenic temperatures, electric and magnetic fields, electrical currents, strain and liquid environments. Furthermore, all these recent developments broaden the applicability of s-SNOMs for exploring fundamental solid-state and quantum phenomena, biological matter, catalytic reactions and more.

Hillenbrand, Rainer [CIC nanoGUNE BRTA and Departm↗
NASA NTRSDate not supplied

Variable Pressure - Scanning Electron Microscopy (VP-SEM)

Variable Pressure (or Environmental) Scanning Electron Microscopy (VP-SEM) combined with Energy Dispersive X-ray Spectroscopy (EDS) is one of the most powerful methods for characterizing the sub-micron topography and chemical composition of uncoated samples. Terrestrially, VP-SEM is extensively used to non-destructively study geologic and manufactured materials with high spatial resolution (tens of nanometers) and large depth-of-field. An SEM offers a geologist a first survey of microscopic mineral phases via secondary electron imaging (SEI), which provides a topographic look at a sample, as well as backscattered electron (BEI) imaging, which contrasts the phases present based on their geochemistry (atomic number). A VP-SEM utilizes a gas in the sample chamber as a charge dissipation and signal amplification method, allowing analysis of a sample without preparation in the form of a conductive coating. A miniaturized VP-SEM operating in-situ on a lander or rover would be able to use the CO2-rich Martian atmosphere (e.g., Nier et al., 1976; Williams 2016) as an imaging medium for this purpose. Adaptation of a VP-SEM for in-situ Mars surface studies will provide a new imaging capability (via SEI) that is at least an order of magnitude higher resolution than the Mars Hand Lens Imager (MAHLI) on the Mars Science Laboratory (Williams et al., 2015), and equal to or better than the achieved resolution of the Atomic Force Microscope on the Phoenix Mars lander (Pike et al., 2011). In addition, the MVP-SEM is capable of BSI and simultaneous chemical analysis of the imaged region. In this sense, the MVP-SEM can be regarded as an instrument suite that will provide a new set of information not achievable by any other instrument. The Miniaturized Variable Pressure Scanning Electron Microscope (MVP-SEM) was designed, built, and benchtop tested by a team at NASA’s Marshall Space Flight Center and Jet Propulsion Laboratory (JPL), Jacobs Space Exploration Group, Applied Physics Technologies, Inc. (AP-Tech), and Creare LLC, working with a team of technical and science collaborators. Benchtop testing was successful, proving concept feasibility. To date, the MVP-SEM has achieved an imaging resolution of <100 nm in the lab, and with continued optimization, even better performance (~50 nm resolution) is possible. Use in-situ on the lunar or other planetary surfaces would require some redesign to optimize instrument performance, but such an instrument would be equally useful.

Variable Pressure Scanning Electron Microscopy↗
NASA NTRSDate not supplied

Miniature Variable Pressure - Scanning Electron Microscopy (MVP-SEM)

Variable Pressure (or Environmental) Scanning Electron Microscopy (VP-SEM) combined with Energy Dispersive X-ray Spectroscopy (EDS) is one of the most powerful methods for characterizing the sub-micron topography and chemical composition of uncoated samples. Terrestrially, VP-SEM is extensively used to non-destructively study geologic and manufactured materials with high spatial resolution (tens of nanometers) and large depth-of-field. An SEM offers a geologist a first survey of microscopic mineral phases via secondary electron imaging (SEI), which provides a topographic look at a sample, as well as backscattered electron (BEI) imaging, which contrasts the phases present based on their geochemistry (atomic number). A VP-SEM utilizes a gas in the sample chamber as a charge dissipation and signal amplification method, allowing analysis of a sample without preparation in the form of a conductive coating. A miniaturized VP-SEM operating in-situ on a lander or rover would be able to use the CO2-rich Martian atmosphere (e.g., Nier et al., 1976; Williams 2016) as an imaging medium for this purpose. Adaptation of a VP-SEM for in-situ Mars surface studies will provide a new imaging capability (via SEI) that is at least an order of magnitude higher resolution than the Mars Hand Lens Imager (MAHLI) on the Mars Science Laboratory (Williams et al., 2015), and equal to or better than the achieved resolution of the Atomic Force Microscope on the Phoenix Mars lander (Pike et al., 2011). In addition, the MVP-SEM is capable of BSI and simultaneous chemical analysis of the imaged region. In this sense, the MVP-SEM can be regarded as an instrument suite that will provide a new set of information not achievable by any other instrument. The Miniaturized Variable Pressure Scanning Electron Microscope (MVP-SEM) was designed, built, and benchtop tested by a team at NASA’s Marshall Space Flight Center and Jet Propulsion Laboratory (JPL), Jacobs Space Exploration Group, Applied Physics Technologies, Inc. (AP-Tech), and Creare LLC, working with a team of technical and science collaborators. Benchtop testing was successful, proving concept feasibility. To date, the MVP-SEM has achieved an imaging resolution of <100 nm in the lab, and with continued optimization, even better performance (~50 nm resolution) is possible. Use in-situ on the lunar or other planetary surfaces would require some redesign to optimize instrument performance, but such an instrument would be equally useful.

Variable Pressure Scanning Electron Microscopy↗
NASA NTRS1999

Science Observations of Deep Space One

During the Deep Space One (DS1) primary mission, the spacecraft will fly by asteroid 1992 KD and possibly comet Borrelly. There are two technologies being validated on DS1 that will provide science observations of these targets, the Miniature Integrated Camera Spectrometer (MICAS) and the Plasma Experiment for Planetary Exploration (PEPE). MICAS encompasses a camera, an ultraviolet imaging spectrometer and an infrared imaging spectrometer. PEPE combines an ion and electron analyzer designed to determine the three-dimensional distribution of plasma over its field of view. MICAS includes two visible wavelength imaging channels, an ultraviolet imaging spectrometer, and an infrared imaging spectrometer all of which share a single 10-cm diameter telescope. Two types of visible wavelength detectors, both operating between about 500 and 1000 nm are used: a CCD with 13-microrad pixels and an 18-microrad-per-pixel, metal-on-silicon active pixel sensor (APS). Unlike the CCD the APS includes the timing and control electronics on the chip along with the detector. The UV spectrometer spans 80 to 185 nm with 0.64-nm spectral resolution and 316-microrad pixels. The IR spectrometer covers the range from 1200 to 2400 nm with 6.6-nm resolution and 54-microrad pixels PEPE includes a very low-power, low-mass micro-calorimeter to help understand plasma-surface interactions and a plasma analyzer to identify de individual molecules and atoms in the immediate vicinity of the spacecraft that have been eroded off the surface of asteroid 1992 KD. It employs common apertures with separate electrostatic energy analyzers. It measures electron and ion energies spanning a range of 3 eV to 30 keV, with a resolution of five percent. and measures ion mass from one to 135 atomic mass units with 5 percent resolution. It electrostatically sweeps its field of view both in elevation and azimuth. Both MICAS and PEPE represent a new direction for the evolution of science instruments for interplanetary spacecraft. These two instruments incorporate a large fraction of the capability of five instruments that had typically flown on NASA's deep space missions The Deep Space One science team acknowledges the support of Philip Varghese, David H. Lehman, Leslie Livesay, and Marc Rayman for providing invaluable assistance in making the science observations possible.

Nelson, Robert M.↗
DOE OSTI2025

Resolving three-dimensional nanoscale heterogeneities in lithium metal batteries with cryoelectron tomography

Current direct observation of sensitive battery materials and interfaces primarily relies on two-dimensional (2D) imaging, leaving out their three-dimensional (3D) relationship. Here, in this study, we used cryoelectron tomography (cryo-ET) to visualize the lithium metal anode in 3D at nanometer resolution and cryoelectron microscopy (cryo-EM) to reveal atomic details in local regions. We imaged both freshly prepared and calendar-aged Li metal anodes to reveal the development of LiH in Li dendrites and the Li-LiH interface, as well as the development of the solid-electrolyte interphase (SEI). Using a convolutional neural network-based technique, the 3D arrangement of Li metal, along with nanoscale LiH and Cu heterogeneities in dendrites, was visualized and annotated. In longer-term calendar aging, we observed more substantial LiH growth accompanied by extended SEI growth. Our results show that the growth of LiH and the extended SEI during battery calendar aging are temporally and spatially separate processes.

LiH↗
DOE OSTI2024

De novo atomic protein structure modeling for cryoEM density maps using 3D transformer and HMM

Accurately building 3D atomic structures from cryo-EM density maps is a crucial step in cryo-EM-based protein structure determination. Converting density maps into 3D atomic structures for proteins lacking accurate homologous or predicted structures as templates remains a significant challenge. Here, we introduce Cryo2Struct, a fully automated de novo cryo-EM structure modeling method. Cryo2Struct utilizes a 3D transformer to identify atoms and amino acid types in cryo-EM density maps, followed by an innovative Hidden Markov Model (HMM) to connect predicted atoms and build protein backbone structures. Cryo2Struct produces substantially more accurate and complete protein structural models than the widely used ab initio method Phenix. Additionally, its performance in building atomic structural models is robust against changes in the resolution of density maps and the size of protein structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Analysis of biofilm assembly by large area automated AFM

Biofilms are complex microbial communities critical in medical, industrial, and environmental contexts. Understanding their assembly, structure, genetic regulation, interspecies interactions, and environmental responses is key to developing effective control and mitigation strategies. While atomic force microscopy (AFM) offers critically important high-resolution insights on structural and functional properties at the cellular and even sub-cellular level, its limited scan range and labor-intensive nature restricts the ability to link these smaller scale features to the functional macroscale organization of the films. We begin to address this limitation by introducing an automated large area AFM approach capable of capturing high-resolution images over millimeter-scale areas, aided by machine learning for seamless image stitching, cell detection, and classification. Large area AFM is shown to provide a very detailed view of spatial heterogeneity and cellular morphology during the early stages of biofilm formation which were previously obscured. Using this approach, we examined the organization of Pantoea sp. YR343 on PFOTS-treated glass surfaces. Our findings reveal a preferred cellular orientation among surface-attached cells, forming a distinctive honeycomb pattern. Detailed mapping of flagella interactions suggests that flagellar coordination plays a role in biofilm assembly beyond initial attachment. Additionally, we use large-area AFM to characterize surface modifications on silicon substrates, observing a significant reduction in bacterial density. This highlights the potential of this method for studying surface modifications to better understand and control bacterial adhesion and biofilm formation.

59 BASIC BIOLOGICAL SCIENCES↗