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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Oxygen and hydrogen atom concentration profiles in the premixed propane/oxygen flame

The oxygen and hydrogen free radical (atom) concentration profiles in the premixed propane/oxygen flame at 92.5% oxygen were determined using electron spin resonance (ESR) spectroscopy techniques. The ESR instrument was specially modified so that the flame can be probed for determining the oxygen and hydrogen atom population densities during the actual combustion process of propane burning in oxygen. The technique used for propane is similar to that suggested by Fristrom and Westenberg to measure the free radical concentration profiles in C-C hydrocarbon/oxygen combustion.

Downs, W. R.↗
DOE OSTI2025

Atom Efficiency of Pd Sites for Methane Combustion: Single Atom Catalysts Versus Nanocatalysts

Methane combustion is an important reaction for energy production and methane removal from the atmosphere. This reaction highly relies on the use of noble metal Pd-based catalysts, which therefore drives the pursuit of catalysts with high atomic dispersion and activity. In this work, Pd/ceria catalysts dominated with Pd single atoms or nanosized Pd clusters (∼1 nm) are prepared and characterized by combining high-resolution high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), in situ diffuse reflectance infrared Fourier-transform spectroscopy (DRIFTS), and Raman and X-ray absorption spectroscopy (XAS) techniques. By comparing the turnover frequencies (TOF; per every Pd atom) of Pd/ceria single atom catalysts and nanocatalysts, it is found that the atom efficiency of Pd is increased by 10 ∼30 times from single atom catalysts to nanocatalysts. For Pd single atom catalysts, although their activity can be tuned by changing the local structures, the intrinsic activity and number of active sites need to be further improved by engineering the surfaces of supports. For nanosized Pd species, despite the high TOF, the Pd atoms in the bulk structure are not directly participating in the catalytic reaction. Furthermore, this work highlights the importance of increasing the intrinsic activity of individual noble atoms, as well as the homogeneity of their local structures. For Pd/ceria systems reported in this work, our results indicate that from the application point of view, at the current stage, it is not practical to replace Pd nanocatalysts with single atom catalysts for methane combustion.

Pd↗
NASA NTRS1991

Laboratory studies in ultraviolet solar physics

The research activity comprised the measurement of basic atomic processes and parameters which relate directly to the interpretation of solar ultraviolet observations and to the development of comprehensive models of the component structures of the solar atmosphere. The research was specifically directed towards providing the relevant atomic data needed to perform and to improve solar diagnostic techniques which probe active and quiet portions of the solar chromosphere, the transition zone, the inner corona, and the solar wind acceleration regions of the extended corona. The accuracy with which the physical conditions in these structures can be determined depends directly on the accuracy and completeness of the atomic and molecular data. These laboratory data are used to support the analysis programs of past and current solar observations (e.g., the Orbiting solar Observatories, the Solar Maximum Mission, the Skylab Apollo Telescope Mount, and the Naval Research Laboratory's rocket-borne High Resolution Telescope and Spectrograph). In addition, we attempted to anticipate the needs of future space-borne solar studies such as from the joint ESA/NASA Solar and Heliospheric Observatory (SOHO) spacecraft. Our laboratory activities stressed two categories of study: (1) the measurement of absolute rate coefficients for dielectronic recombination and electron impact excitation; and (2) the measurement of atomic transition probabilities for solar density diagnostics. A brief summary of the research activity is provided.

Parkinson, W. H.↗
NASA NTRS1995

Allan deviation computations of a linear frequency synthesizer system using frequency domain techniques

Allan Deviation computations of linear frequency synthesizer systems have been reported previously using real-time simulations. Even though it takes less time compared with the actual measurement, it is still very time consuming to compute the Allan Deviation for long sample times with the desired confidence level. Also noises, such as flicker phase noise and flicker frequency noise, can not be simulated precisely. The use of frequency domain techniques can overcome these drawbacks. In this paper the system error model of a fictitious linear frequency synthesizer is developed and its performance using a Cesium (Cs) atomic frequency standard (AFS) as a reference is evaluated using frequency domain techniques. For a linear timing system, the power spectral density at the system output can be computed with known system transfer functions and known power spectral densities from the input noise sources. The resulting power spectral density can then be used to compute the Allan Variance at the system output. Sensitivities of the Allan Variance at the system output to each of its independent input noises are obtained, and they are valuable for design trade-off and trouble-shooting.

Wu, Andy↗
DOE OSTI2021

Dynamic structural views in solar energy materials by femtosecond electron diffraction

Solar materials convert light into other forms of energy through excited state processes occurring on ultrafast time and atomic length scales. Understanding and controlling such nonequilibrium processes is essential for applications ranging from photovoltaics to photocatalysis. These processes are commonly studied by transient optical techniques, which resolve charge carrier dynamics. However, optical spectroscopy does not directly probe the atomic-scale motions that play a central role in the ultimate functionality of these materials. Filling this missing gap, ultrafast electron and x-ray scattering techniques enable monitoring of structural dynamics in materials with femtosecond time resolution. In this work, we focus on the use of ultrafast electron diffraction (UED) techniques to probe photoinduced energy conversion dynamics in solar energy materials. First, we discuss the use of UED as an ultrafast lattice thermometer allowing a direct probe of nonradiative relaxations such as hot carrier cooling and Auger recombination. Second, we present a time-resolved atomic pair distribution function analysis enabled by UED, which uncovers lattice deformations arising from excitation localization in materials. Finally, we provide an outlook looking toward new approaches for resolving in situ energy conversion dynamics and uncovering structure–property relationships in solar energy materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Buffer-layer-controlled nickeline vs zinc-blende/wurtzite-type MnTe growths on c -plane Al 2 O 3 substrates

In the recent past, MnTe has proven to be a crucial component of the intrinsic magnetic topological insulator (IMTI) family [MnTe] m [Bi2Te 3 ] n , which hosts a wide range of magneto-topological properties depending on the choice of m and n. However, bulk crystal growth allows only a few combinations of m and n for these IMTIs due to the strict limitations of the thermodynamic growth conditions. One way to overcome this challenge is to utilize atomic layer-by-layer molecular beam epitaxy (MBE) technique, which allows arbitrary sequences of [MnTe]m and [Bi 2 Te 3 ] n to be formed beyond the thermodynamic limit. For such MBE growth, finding optimal growth templates and conditions for the parent building block, MnTe, is a key requirement. Here, we report that two different hexagonal phases of MnTe - nickeline (NC) and zinc-blende/wurtzite (ZB-WZ) structures, with distinct in-plane lattice constants of 4.20 ± 0.04 Å and 4.39 ± 0.04 Å, respectively - can be selectively grown on c-plane Al 2 O 3 substrates using different buffer layers and growth temperatures. Moreover, we provide the first comparative studies of different MnTe phases using atomic-resolution scanning transmission electron microscopy and show that ZB and WZ-like stacking sequences can easily alternate between the two. Surprisingly, In 2 Se 3 buffer layer, despite its lattice constant (4.02 Å) being closer to that of the NC phase, fosters the ZB-WZ instead, whereas Bi 2 Te 3 , sharing the same lattice constant (4.39 Å) with the ZB-WZ phase, fosters the NC phase. Furthermore, these discoveries suggest that lattice matching is not always the most critical factor determining the preferred phase during epitaxial growth. Overall, this will deepen our understanding of epitaxial growth modes for chalcogenide materials and accelerate progress toward new IMTI phases as well as other magneto-topological applications.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Performance of the PARCS Testbed Cesium Fountain Frequency Standard

A cesium fountain frequency standard has been developed as a ground testbed for the PARCS (Primary Atomic Reference Clock in Space) experiment, an experiment intended to fly on the International Space Station. We report on the performance of the fountain and describe some of the implementations motivated in large part by flight considerations, but of relevance for ground fountains. In particular, we report on a new technique for delivering cooling and trapping laser beams to the atom collection region, in which a given beam is recirculated three times effectively providing much more optical power than traditional configurations. Allan deviations down to 10 have been achieved with this method.

cesium↗
DOE OSTI2020

Variability and origins of grain boundary electric potential detected by electron holography and atom-probe tomography

A number of grain boundary phenomena in ionic materials, in particular, anomalous (either depressed or enhanced) charge transport, have been attributed to space charge effects. Developing effective strategies to manipulate transport behaviour requires deep knowledge of the origins of the interfacial charge, as well as its variability within a polycrystalline sample with millions of unique grain boundaries. Electron holography is a powerful technique uniquely suited for studying the electric potential profile at individual grain boundaries, whereas atom-probe tomography provides access to the chemical identify of essentially every atom at individual grain boundaries. Using these two techniques, we show in this paper that the space charge potential at grain boundaries in lightly doped, high-purity ceria can vary by almost an order of magnitude. We further find that trace impurities (<25 ppm), rather than inherent thermodynamic factors, may be the ultimate source of grain boundary charge. These insights suggest chemical tunability of grain boundary transport properties. A number of grain boundary phenomena in ionic materials, such as anomalous charge transport, have been attributed to space charge effects. Space charge potential at grain boundaries in lightly doped, high-purity ceria is now shown to vary by almost an order of magnitude.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Flow diagnostics in unseeded air

Several approaches are presented for the quantitative measurement of flowfield parameters in high-speed flows. The techniques are developed for the study of air flows in the Mach 2 to Mach 3 regime and can be extended to the hypersonic and subsonic regimes in a straightforward manner. Instantaneous two-dimensional cross-sectional images of the density using UV Rayleigh scattering and the measurement of velocity profiles using the RELIEF technique are shown. The RELIEF technique employs two high-powered lasers separated in frequency by the vibrational frequency of oxygen molecules to write lines across the flowfield by stimulated Raman scattering. The preliminary results indicate that the UV Rayleigh scattering may also be extended to the measurement of velocity and temperature fields by using an atomic or molecular absorption filter window, and that the RELIEF technique can be extended to marking shaped volumetric points or arrays of points in the flowfield for velocity and vorticity measurements.

Miles, R.↗
NASA NTRS1981

Hot oxygen atoms in the upper atmosphere of Venus

Using data obtained by an ultraviolet spectrometer on the Pioneer-Venus Orbiter, energy and altitude distribution of nonthermal oxygen atoms in the Venus atmosphere for typical daytime and nighttime conditions are calculated using two different numerical methods. Agreement is found between results obtained by the two-stream transport method and the diffusion equation technique. Dissociative recombination of molecular oxygen ions and charge exchange of atomic oxygen ions with the neutral hydrogen and oxygen gas are the source terms, and calculations show that the dissociative recombination term is the dominant one. It is shown that measured hot atom concentrations exceed estimates of the thermal hydrogen atom concentrations derived from Brinton et al. (1980) over most of the daytime exosphere, and the calculated concentrations do so to an even greater extent. It is concluded that hot oxygen atoms are an important component of the dayside exosphere of Venus, their most important effect being the absorption of solar wind.

Nagy, A. F.↗
DOE OSTI2023

Probing the Mechanical Properties of 2D Materials via Atomic‐Force‐Microscopy‐Based Modulated Nanoindentation

Abstract As the field of low‐dimensional materials (1D or 2D) grows and more complex and intriguing structures are continuing to be found, there is an emerging need for techniques to characterize the nanoscale mechanical properties of all kinds of 1D/2D materials, in particular in their most practical state: sitting on an underlying substrate. While traditional nanoindentation techniques cannot accurately determine the transverse Young's modulus at the necessary scale without large indentations depths and effects to and from the substrate, herein an atomic‐force‐microscopy‐based modulated nanomechanical measurement technique with Angstrom‐level resolution (MoNI/ÅI) is presented. This technique enables non‐destructive measurements of the out‐of‐plane elasticity of ultra‐thin materials with resolution sufficient to eliminate any contributions from the substrate. This method is used to elucidate the multi‐layer stiffness dependence of graphene deposited via chemical vapor deposition and discover a peak transverse modulus in two‐layer graphene. While MoNI/ÅI has been used toward great findings in the recent past, here all aspects of the implementation of the technique as well as the unique challenges in performing measurements at such small resolutions are encompassed.

2D materials↗
DOE OSTI2021

Scanning Electrochemical and Photoelectrochemical Microscopy on Finder Grids: Toward Correlative Multitechnique Imaging of Surfaces

Scanning electrochemical microscopy (SECM) is a powerful technique for mapping surface reactivity and investigating heterogeneous processes on the nanoscale. Despite significant advances in high-resolution SECM and photo-SECM imaging, they cannot provide atomic scale structural information about surfaces. By correlating the SECM images with atomic scale structural and bonding information obtained by transmission electron microscopy (TEM) techniques with one-to-one correspondence, one can elucidate the nature of the active sites and understand the origins of heterogeneous surface reactivity. Here, to enable multitechnique imaging of the same nanoscale portion of the electrode surface, we develop a methodology for using a TEM finder grid as a conductive support in SECM and photo-SECM experiments. In this paper, we present the results of our first nanoscale SECM and photo-SECM experiments on carbon TEM grids, including imaging of semiconductor nanorods.

14 SOLAR ENERGY↗
NASA NTRS2000

Automated Reflectance Measurement System Designed and Fabricated to Determine the Limits of Atomic Oxygen Treatment of Art Through Contrast Optimization

Atomic oxygen generated in ground-based research facilities has been used to not only test erosion of candidate spacecraft materials but as a noncontact technique for removing organic deposits from the surfaces of artwork. NASA has patented the use of atomic oxygen to remove carbon-based soot contamination from fire-damaged artwork. The process of cleaning soot-damaged paintings with atomic oxygen requires exposures for variable lengths of time, dependent on the condition of a painting. Care must be exercised while cleaning to prevent the removal of pigment. The cleaning process must be stopped as soon as visual inspection or surface reflectance measurements indicate that cleaning is complete. Both techniques rely on optical comparisons of known bright locations against known dark locations on the artwork being cleaned. Difficulties arise with these techniques when either a known bright or dark location cannot be determined readily. Furthermore, dark locations will lighten with excessive exposure to atomic oxygen. Therefore, an automated test instrument to quantitatively characterize cleaning progression was designed and developed at the NASA Glenn Research Center at Lewis Field to determine when atomic oxygen cleaning is complete.

Sechkar, Edward A.↗
DOE OSTI2025

OmniXAS: A universal deep-learning framework for materials x-ray absorption spectra

X-ray absorption spectroscopy (XAS) is a powerful characterization technique for probing the local chemical environment of absorbing atoms. However, analyzing XAS data presents significant challenges, often requiring extensive, computationally intensive simulations, as well as significant domain expertise. These limitations hinder the development of fast, robust XAS analysis pipelines that are essential in high-throughput studies and for autonomous experimentation. Here, we address these challenges with OmniXAS, a framework that contains a suite of transfer learning approaches for XAS prediction, each uniquely contributing to improved accuracy and efficiency, as demonstrated on the K-edge spectra database covering eight 3⁢d transition metals (Ti–Cu). The OmniXAS framework is built upon three distinct strategies. First, we use M3GNet [Nat. Comput. Sci. 2, 718 (2022)] to derive latent representations of the local chemical environment of absorption sites as input for XAS prediction, achieving significant improvements over conventional featurization techniques. Second, we employ a hierarchical transfer learning strategy, training a universal multitask model across elements before fine-tuning for element-specific predictions. Models based on this cascaded approach after elementwise fine-tuning outperform element-specific models by up to 69%. Third, we implement cross-fidelity transfer learning, adapting a universal model to predict spectra generated by simulation of a different fidelity with a much higher computational cost. This approach improves prediction accuracy by up to 11% over models trained on the target fidelity alone. Our approach significantly boosts the throughput of XAS modeling by orders of magnitude as compared to first-principles simulations and is extendable to XAS prediction for a broader range of elements. The proposed transfer learning framework is generalizable to enhance deep-learning models that target other properties in materials research.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Towards resolving protein structures at the atomic scale using atom probe tomography

In the field of Structural Biology, Atom Probe Tomography (APT) is in the nascent stages of development wherein coarse-grained visuals of proteins have been captured. The characterization of organic samples or biomolecules through the technique is currently limited to the detection of a few dominant signatures. The problem of indecipherable characterization can inherently be traced back to multiple forms of technique-specific responses to organic samples and consequent triggers leading to organic-sample and sample-medium interactions. While it is possible for captured manifestations of protein reconstructions to seemingly appear intact from a basic visual purview, the parameter-protein associative responses throughout the structure as a direct consequence of the inherent workings of the technique (until harmonized with organic sample complexity and behavior) and field evaporation-based factors make non-aberrative atomic associations infeasible. The work focused on identifying and theorizing the (above stated and other) fundamental mechanisms that stronghold the study of intricate atomic to higher order associations in proteins through APT. Attempts at structure elucidation of the cryogenic sample under study, through indirect associations (and methods) based on other imaging techniques, further revealed the distinct and highly distortive nature at the atomic scale deterring structural tunability and thus characterization of APT based cryogenic samples under analysis. As a direct counter to the atomic scale characterization problem, by taking the experiment-specific uncertainties, and probable APT-centric organic sample-based variabilities into account, a basic result is extracted and presented. Through mass-spectrometric and computational analysis, specific individual amino acids (Sulfur-containing protein-bound amino acids) in proteins and aspects of protein structure (probable backbone fragments, partial sequence - partial backbone portions) have been identified and characterized. Under analysis considerations, a few of the simplest known and easily inferable segments that favor structural deteriorations in the reconstructions are stated. Additionally, to overcome technique-specific deterrents to the characterization of biomolecules in cryogenic sample medium, the development of a protein-labeling strategy tailored to APT is suggested.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

Oxidation and protection of fiberglass-epoxy composite masts for photovoltaic arrays in the low Earth orbital environment

Fiberglass-epoxy composites are considered for use as structural members for the mast of the space station solar array panel. The low Earth orbital environment in which space station is to operate is composed mainly of atomic oxygen, which has been shown to cause erosion of many organic materials and some metals. Ground based testing in a plasma asher was performed to determine the extent of degradation of fiberglass-epoxy composites when exposed to a simulated atomic oxygen environment. During exposure, the epoxy at the surface of the composite was oxidized, exposing individual glass fibers which could easily be removed. Several methods of protecting the composite were evaluated in an atomic oxygen environment and with thermal cycling and flexing. The protection techniques evaluated to date include an aluminum braid covering, an indium-tin eutectic and a silicone based paint. The open aluminum braid offered little protection while the CV-1144 coating offered some initial protection against atomic oxygen, but appears to develop cracks which accelerate degradation when flexed. Coatings such as the In-Sn eutectic may provide adequate protection by containing the glass fibers even though mass loss still occurs.

Rutledge, Sharon K.↗
DOE OSTI2024

Imaging moiré excited states with photocurrent tunnelling microscopy

Moiré superlattices provide a highly tuneable and versatile platform to explore novel quantum phases and exotic excited states ranging from correlated insulators to moiré excitons. Scanning tunnelling microscopy has played a key role in probing microscopic behaviours of the moiré correlated ground states at the atomic scale. However, imaging of quantum excited states in moiré heterostructures remains an outstanding challenge. In this report we develop a photocurrent tunnelling microscopy technique that combines laser excitation and scanning tunnelling spectroscopy to directly visualize the electron and hole distribution within the photoexcited moiré exciton in twisted bilayer WS 2 . The tunnelling photocurrent alternates between positive and negative polarities at different locations within a single moiré unit cell. This alternating photocurrent originates from the in-plane charge transfer moiré exciton in twisted bilayer WS 2 , predicted by our GW-Bethe–Salpeter equation calculations, that emerges from the competition between the electron–hole Coulomb interaction and the moiré potential landscape. Our technique enables the exploration of photoexcited non-equilibrium moiré phenomena at the atomic scale.

36 MATERIALS SCIENCE↗