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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS2011

A Laboratory and Theoretical Study of Silicon Hydroxide SiOH

The rotational spectrum of the triatomic free radical SiOH in its X 2A' ground electronic state has been observed in a supersonic molecular beam by Fourier transform microwave spectroscopy. The fundamental (10,1 yields 00,0) transition has been detected for normal SiOH and for three rare isotopic species: (30)SiOH, Si(18)OH, and SiOD. The same transition has also been observed in two of three excited vibrational states, v2 and v3, for the most abundant species. Precise spectroscopic constants, including those that describe the effective spin doubling and hydrogen hyperfine structure, have been derived for each isotopic species or vibrational state. To complement the laboratory work, theoretical calculations of the structure, dipole moment, and energies of the X 2A' and low-lying 1 2A'' states have also been undertaken at the coupled cluster level of theory. In agreement with theoretical predictions, we conclude from the hyperfine constants that SiOH is a best described as a pi-type radical, with the unpaired electron localized on a p orbital on the silicon atom. Assuming a bond angle of 118.5 deg, the Si-O bond length is 1.647(2) Angstroms and the O-H bond length is 0.969(4) Angstrom.

McCarthy, M. C.↗
NASA NTRS2020

GJ 1252 b: A 1.2 R⊕ Planet Transiting an M3 Dwarf at 20.4 pc

We report the discovery of GJ 1252 b, a planet with a radius of 1.193 ± 0.074 R⊕ and an orbital period of 0.52 days around an M3-type star (0.381 ± 0.019 M⊕, 0.391 ± 0.020 R⊕) located 20.385 ± 0.019 pc away. We use Transiting Exoplanet Survey Satellite (TESS) data, ground-based photometry and spectroscopy, Gaia astrometry, and high angular resolution imaging to show that the transit signal seen in the TESS data must originate from a transiting planet. We do so by ruling out all false-positive scenarios that attempt to explain the transit signal as originating from an eclipsing stellar binary. Precise Doppler monitoring also leads to a tentative mass measurement of 2.09 ± 0.56 M⊕. The host star proximity, brightness (V = 12.19 mag, K = 7.92 mag), low stellar activity, and the system's short orbital period make this planet an attractive target for detailed characterization, including precise mass measurement, looking for other objects in the system, and planet atmosphere characterization.

Avi Shporer↗
DOE OSTI2023

Radiation, optical, power flow, and electrical diagnostics at the Z facility: Layout and techniques utilized to operate in the harsh environment

The Z machine is a current driver producing up to 30 MA in 100 ns that utilizes a wide range of diagnostics to assess accelerator performance and target behavior conduct experiments that use the Z target as a source of radiation or high pressures. Here, we review the existing suite of diagnostic systems, including their locations and primary configurations. The diagnostics are grouped in the following categories: pulsed power diagnostics, x-ray power and energy, x-ray spectroscopy, x-ray imaging (including backlighting, power flow, and velocimetry), and nuclear detectors (including neutron activation). We will also briefly summarize the primary imaging detectors we use at Z: image plates, x-ray and visible film, microchannel plates, and the ultrafast x-ray imager. The Z shot produces a harsh environment that interferes with diagnostic operation and data retrieval. We term these detrimental processes “threats” of which only partial quantifications and precise sources are known. Finally, we summarize the threats and describe techniques utilized in many of the systems to reduce noise and backgrounds.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Electronic reconstruction in confined SrRuO 3 monolayers

Here, we report the observation of an electronic reconstruction in dimensionally controlled ruthenate heterostructures synthesized by pulsed laser deposition. High structural and electronic quality of superlattices comprised of a single SrRuO 3 layer inter-spaced with varying thicknesses of insulating SrTiO 3 layers was verified by reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, reciprocal space mapping, and x-ray absorption spectroscopy. X-ray absorption spectroscopy evidences a confinement-driven evolution of the Ru electronic configuration from the 𝑑 5 $\underline{L}$ to the 𝑑 4 state. Significant increases of the spin-orbit coupling are observed in connection with the configuration changes supporting recent works identifying large enhancement of the magnetic anisotropy. The growth of high quality two-dimensional confined ruthenate layers under precisely controlled environments highlights the potential to directly manipulate interlayer coupling and selectively perturb the electronic state in ruthenates in analogy to superconducting Sr 2 ⁢RuO 4 .

36 MATERIALS SCIENCE↗
NASA NTRS2012

Spectroscopy of Exoplanet Atmospheres with the FINESSE Explorer

FINESSE (Fast INfrared Exoplanet Spectroscopic Survey Explorer) will provide uniquely detailed information on the growing number of newly discovered planets by characterizing their atmospheric composition and temperature structure. This NASA Explorer mission, selected for a competitive Phase A study, is unique in its breath and scope thanks to broad instantaneous spectroscopy from the optical to the mid-IR (0.7 - 5 micron), with a survey of exoplanets measured in a consistent, uniform way. For 200 transiting exoplanets ranging from Terrestrial to Jovians, FINESSE will measure the chemical composition and temperature structure of their atmospheres and trace changes over time with exoplanet longitude. The mission will do so by measuring the spectroscopic time series for a primary and secondary eclipse over the exoplanet orbital phase curve. With spectrophotometric precision being a key enabling aspect for combined light exoplanet characterization, FINESSE is designed to produce spectrophotometric precision of better than 100 parts-per-million per spectral channel without the need for decorrelation. The exceptional stability of FINESSE will even allow the mission to characterize non-transiting planets, potentially as part of FINESSE's Participating Scientist Program. In this paper, we discuss the flow down from the target availability to observations and scheduling to the analysis and calibration of the data and how it enables FINESSE to be the mission that will truly expand the new field of comparative exoplanetology.

chemical abundance↗
DOE OSTI2021

Seismic Visibility of Eclogite in the Earth’s Upper Mantle—Implications From High Pressure‐Temperature Single‐Crystal Elastic Properties of Omphacite

Abstract Identifying and locating the geochemical and geophysical heterogeneities in the Earth’s interior is one of the most important and challenging tasks for the deep Earth scientists. Subducted oceanic crust metamorphizes into the dense eclogite in the upper mantle and is considered as a major cause of geochemical and geophysical heterogeneities in the deep Earth. In order to detect eclogitic materials inside the Earth, precise measurements of the high pressure‐temperature single‐crystal elasticity of major minerals in eclogite are thus exceedingly important. Omphacite, a Na,Al‐bearing clinopyroxene, constitutes up to 75 vol% of eclogite. In the present study, we performed the first high pressure‐temperature single‐crystal elasticity measurements of omphacite using Brillouin spectroscopy. Utilizing the finite‐strain approach, we obtained the following thermoelastic parameters for omphacite: K S0 ’ = 4.5(1), G 0 ’ = 1.53(5), ∂K S0 /∂ T = −0.029(5) GPa/K, ∂G 0 /∂ T = −0.013(5) GPa/K, with K S0 = 123(3) GPa, G 0 = 74(2) GPa, and ρ 0 = 3.34(1) g/cm 3 . We found that the seismic velocities of undeformed eclogite are similar to pyrolite at the depths of 200–300 and 410–500 km, thus eclogite is seismically invisible at these depths. Combined with the lattice‐preferred orientations of the omphacite in naturally deformed eclogites, we also modeled seismic anisotropy of eclogite at various pressure‐temperature conditions. A 10 km thick subducted eclogitic crust can result in ∼0.2 s shear wave splitting in the Earth’s upper mantle.

Hao, Ming↗
DOE OSTI2022

Raman spectroscopy of thermally perturbed carbon fibers: Discriminating spectral responses of modulus classes and defect types

The mechanical strength properties of carbon fibers are generally thought to be correlated with the presence of underlying atomic-level defects. These defects serve to break the underlying translational symmetry of the graphitic or graphene subunits of the fiber construction, resulting in the emergence of new Raman-active spectral features. However, historical attempts to classify the precise origin of defect contributions to the Raman spectra have been challenging because of indistinct and overlapping features in the carbon fiber Raman spectra. Further, while substantial research exists on high-temperature exposure in inert atmospheres for carbon fiber composites, comparatively less addresses microscale behaviors and Raman spectral alterations to monofilament carbon fibers exposed to high-temperature atmospheric environments. Here, we report Raman spectral responses of nine commercially available high-performance, polyacrylonitrile-based carbon fibers exposed to various atmospheric heat treatments. In this work, we introduce a model-independent characterization method, the integrated absolute difference, to quantify the spectral responses to heat treatment of different fiber modulus classes. We combine this new method with a newly reported strategy to standardize spectral fitting for carbon fibers. With this approach, we show that atomic-scale defects in the underlying fiber microstructure manifest in measurably distinct manners and have distinct responses to thermal perturbation. These combined approaches may lay the foundation for disentangling contributions from specific defects in the Raman spectra of carbon fibers.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Passive microwave remote sensing of asteroids using the VLA

Precise flux density measurements made with the Very Large Array (VLA) of the National Radio Astronomy Observatory will be used to define the microwave continuum spectra of asteroids. These spectra will be inverted in order to estimate the near-surface bulk properties (radii, roughness, composition) independent of previous optical or infrared spectroscopy. The results for 2 Pallas, 4 Vesta and 10 Hygeia will be submitted for publication. The review chapter will be published and the results on Asteroid photometeric diameters will be published.

Webster, William J., Jr.↗
NASA NTRS2009

Modern Material Analysis Instruments Add a New Dimension to Materials Characterization and Failure Analysis

Modern analytical tools can yield invaluable results during materials characterization and failure analysis. Scanning electron microscopes (SEMs) provide significant analytical capabilities, including angstrom-level resolution. These systems can be equipped with a silicon drift detector (SDD) for very fast yet precise analytical mapping of phases, as well as electron back-scattered diffraction (EBSD) units to map grain orientations, chambers that admit large samples, variable pressure for wet samples, and quantitative analysis software to examine phases. Advanced solid-state electronics have also improved surface and bulk analysis instruments: Secondary ion mass spectroscopy (SIMS) can quantitatively determine and map light elements such as hydrogen, lithium, and boron - with their isotopes. Its high sensitivity detects impurities at parts per billion (ppb) levels. X-ray photo-electron spectroscopy (XPS) can determine oxidation states of elements, as well as identifying polymers and measuring film thicknesses on coated composites. This technique is also known as electron spectroscopy for chemical analysis (ESCA). Scanning Auger electron spectroscopy (SAM) combines surface sensitivity, spatial lateral resolution (10 nm), and depth profiling capabilities to describe elemental compositions of near and below surface regions down to the chemical state of an atom.

Panda, Binayak↗
NASA NTRS2012

Laser Ablation Surface Preparation of Ti-6A1-4V for Adhesive Bonding

Adhesive bonding offers many advantages over mechanical fastening, but requires certification before it can be incorporated in primary structures for commercial aviation without disbond-arrestment features or redundant load paths. Surface preparation is widely recognized as the key step to producing robust and predictable bonds. Laser ablation imparts both topographical and chemical changes to a surface which can lead to increased bond durability. A laser based process provides an alternative to chemical-dip, manual abrasion and grit blast treatments which are expensive, hazardous, polluting, and less precise. This report documents preliminary testing of a surface preparation technique using laser ablation as a replacement for the chemical etch and abrasive processes currently applied to Ti-6Al-4V alloy adherends. Failure mode, surface roughness, and chemical makeup were analyzed using fluorescence enhanced visualization, microscopy, and X-ray photoelectron spectroscopy, respectively. Single lap shear tests were conducted on bonded and aged specimens to observe bond strength retention and failure mode. Some promising results showed increasing strength and durability of lap shear specimens as laser ablation coverage area and beam intensity increased. Chemical analyses showed trends for surface chemical species which correlated with improved bond strength and durability. Combined, these results suggest that laser ablation is a viable process for inclusion with or/and replacement of one or more currently used titanium surface treatments. On-going work will focus on additional mechanical tests to further demonstrate improved bond durability.

Palmieri, Frank L.↗
DOE OSTI2024

Toward constraint of ionization-potential depression models in a convergent geometry

We demonstrate the value of inner-shell x-ray absorption spectroscopy for dense-plasma atomic physics and explore the coupling between constraint of the thermodynamic state and constraint of ionization-potential depression models. Synthetic K-shell absorption spectra are generated along a radius from a point-like core and analyzed using different ionization-potential depression models. Within this synthetic analysis framework, we identify plasma conditions (T e = 400 eV, ρ = 40g/cm 3 ) accessible by spherical implosions where K-shell absorption spectra discriminate between models if the material temperature is measured to a precision of 20%. The analysis is extensible to a finite-sized core and can be used to guide future studies of ionization-potential depression, informing material and radiative properties of matter in fusion plasmas and stellar interiors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Powder‐to‐Film Conversion of Nickel Single‐Atom Catalysts into Binder‐Free and Resistant Electrodes

Although a few binder-free and self-supported single-atom electrodes have been reported, achieving mechanically robust, defect-engineered, and reproducible films that preserve atomic dispersion under electrochemical operation remains challenging. This work addresses this limitation by presenting a versatile and generalizable strategy to transform powders into standalone, defect-engineered thin films hosting atomically dispersed Ni centers within conductive 2D frameworks. The physicochemical and electronic properties of these materials are thoroughly characterized using a comprehensive set of spectroscopic and microscopic techniques and confirmed the homogeneous dispersion and monoatomic nature of the Ni centers (0.94 wt.%) on the electrode films. Electrochemical testing via cyclic voltammetry and electrochemical impedance spectroscopy under a range of experimental conditions revealed that integration of Ni single atoms markedly enhanced performance and stability compared to carbon nanotube-only electrodes, maintaining integrity after 15 h of continuous operation. This improvement is accompanied by a notable reduction in charge transfer resistance (30.50 Ω) and an increase in double-layer capacitance (295.45 µF). Post-electrochemical analyses corroborated the structural integrity and robustness of the electrodes. Overall, this work bridges atomically precise catalysis and device-level electrochemistry, opening a route toward reproducible and scalable single-atom electrodes for sensing and energy conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2026

UV–Vis–NIR Reflectance Spectroscopy and Chemometrics for Monitoring Pu Directly on an Ion Exchange Column

Here, we present a fiber-optic UV–vis–NIR reflectance spectroscopy method for direct, noninvasive monitoring of Pu(IV) in a glass ion exchange column during dynamic loading and elution in a glovebox. A movable probe enables spatially resolved spectral acquisition along the column axis, capturing distinct features associated with Pu(IV) nitrate complexes during loading and free ions during elution. Principal component analysis was applied to extract the dominant spectral variance and resolve relative concentration profiles without requiring precise knowledge of optical penetration depth or species identity. This in situ approach reveals spatial gradients and speciation dynamics in real time, which provides actionable insight into Pu(IV) ion migration, resin saturation, and breakthrough behavior under evolving flow conditions. The method offers a practical, fiber-compatible strategy to monitor glass column–based separations for Pu and other lanthanides or actinides and to characterize metal–resin interactions in flow-through systems.

actinide↗
DOE OSTI2025

Laser resonance ionization spectroscopy of thorium

High-lying Rydberg and autoionizing (AI) states of thorium (Th) have been studied via resonance laser ionization spectroscopy at both TRIUMF Canada’s particle accelerator center and Oak Ridge National Lab (ORNL). Multiple Rydberg series converging to the ionization potential (IP) were observed via different stepwise laser excitation schemes and were assigned to be the 6d 2 7s ( 4 F 3/2 ) np, nd, and nf series. Analysis of these series enabled the determination of the IP to be 50 868.735(54) cm −1 , which improved the precision by two orders of magnitude over the current adopted NIST value of 50 867(2) cm −1 . Additionally, four AI Rydberg series were identified and assigned to nf and nd series converging to the 6d 2 7s 4 F 5/2 and 6d7s 2 2 D 3/2 metastable states of Th + . In conclusion, the measured energies of the Rydberg and AI Rydberg states are reported, and observed perturbations within the series are discussed.

Rydberg series↗
DOE OSTI2021

Effect of Ni particle size on the production of renewable methane from CO 2 over Ni/CeO 2 catalyst

Production of ‘renewable Methane’ has attracted renewed research interest as a fundamental probe reaction and process for CO 2 utilization through potential use in C1 fuel production and even for future space exploration technologies. CO 2 methanation is a structure sensitive reaction on Ni/CeO 2 catalysts. To precisely elucidate the size effect of the Ni metal center on the CO 2 methanation performance, we prepared 2%Ni/CeO 2 catalysts with pre-synthesized uniform Ni particles (2, 4 and 8 nm) on a high surface area CeO 2 support. Transmission electron microscopy (TEM) and ambient pressure X-ray photo spectroscopy (AP-XPS) characterization have confirmed that the catalyst structure and chemical state was uniform and stable under reaction conditions. The 8 nm sized catalyst showed superior methanation selectivity over the 4 and 2 nm counterparts, and the methanation activity in term of TOF is 10 times and 70 times higher than for the 4 and 2 nm counterparts, respectively. Here, the DRIFTS studies revealed that the larger Ni (8 nm particles) over CeO 2 efficiently facilitated the hydrogenation of the surface formate intermediates, which is proposed as the rate determining step accounting for the excellent CO 2 methanation performance.

36 MATERIALS SCIENCE↗
DOE OSTI2023

X-ray quantification of oxygen groups on diamond surfaces for quantum applications

Abstract Identifying the surface chemistry of diamond materials is increasingly important for device applications, especially quantum sensors. Oxygen-related termination species are widely used because they are naturally abundant, chemically stable, and compatible with stable nitrogen vacancy centres near the diamond surface. Diamond surfaces host a mixture of oxygen-related species, and the precise chemistry and relative coverage of different species can lead to dramatically different electronic properties, with direct consequences for near-surface quantum sensors. However, it is challenging to unambiguously identify the different groups or quantify the relative surface coverage. Here we show that a combination of x-ray absorption and photoelectron spectroscopies can be used to quantitatively identify the coverage of carbonyl functional groups on the { 100 } diamond surface. Using this method we reveal an unexpectedly high fraction of carbonyl groups ( > 9%) on a wide range of sample surfaces. Furthermore, through a combination of ab initio calculations and spectroscopic studies of engineered surfaces, we reveal unexpected complexities in the x-ray spectroscopy of oxygen terminated diamond surfaces. Of particular note, we find the binding energies of carbonyl-related groups on diamond differs significantly from other organic systems, likely resulting in previous misestimation of carbonyl fractions on diamond surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-resolution infrared spectroscopy of jet cooled cyclobutyl in the α-CH stretch region: large-amplitude puckering dynamics in a 4-membered ring radical

We report gas-phase cyclobutyl radical (c-C 4 H 7 ) is generated at a rotational temperature of T rot = 26(1) K in a slit-jet discharge mixture of 70% Ne/30% He and 0.5–0.6% cyclobromobutane (c-C 4 H 7 Br). A fully rovibrationally resolved absorption spectrum of the α-CH stretch fundamental band between 3062.9 cm −1 to 3075.7 cm −1 is obtained and analyzed, yielding first precision structural and dynamical information for this novel radical species. The α-CH stretch band origin is determined to be 3068.7887(4) cm −1 , which implies only a modest (≈0.8 cm −1 ) blue shift from rotationally unresolved infrared spectroscopic studies of cyclobutyl radicals in liquid He droplets [ A. R. Brown, P. R. Franke and G. E. Douberly, J. Phys. Chem. A , 2017, 121 , 7576–7587]. Of particular dynamical interest, a one-dimensional potential energy surface with respect to the ring puckering coordinate is computed at CCSD(T)/ANO2 level of theory and reveals a double minimum C s puckered geometry, separated by an exceedingly shallow planar C 2v transition state barrier (E barr ≈ 1 cm −1 ). Numerical solutions on this double minimum potential yield a zero-point energy for the ground state (E zero-point ≈ 27 cm −1 ) greatly in excess of the interconversion barrier. This is indicative of highly delocalized, large amplitude motion of the four-membered ring structure, for which proper vibrationally averaging of the moment of inertia tensor reproduces the experimentally determined inertial defect remarkably well. Finally, intensity alternation in the experimental spectrum due to nuclear spin statistics upon exchange of three indistinguishable H atom pairs (IH = ½) matches K a + K c = even : odd = 36 : 28 predictions, implying that the unpaired electron in the radical center lies in an out-of-plane p π orbital. Thus, high-resolution infrared spectroscopy provides first experimental confirmation of a shallow double minimum ring puckering potential with a highly delocalized ground state wave function peaked at a planar C 2v transition state geometry consistent with a cyclobutyl π radical.

Chemistry↗