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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Highly ionized atoms toward HD 93521

Results are reported from the HST High Resolution Spectrograph observations of absorption features of C IV and Si IV in the spectrum of the high-latitude O star HD 93521 (l = 183 deg; b = 62 deg). A comparison of Si IV and C IV profiles showed that the FWHM of both features is about 50 km/sec, in contrast to the 7 km/sec found for one of the several S II features. The line centers for C IV and Si IV are at v = -67 km/sec and -60 km/sec, respectively. As the interval velocity decreases from 90 to 50 km/sec, the Si IV/C IV ratio of the column density per unit velocity interval increases from about 0.2 to 0.4. The result is qualitatively consistent with a fountain model of Shapiro and Benjamin (1991) if the slower gas has cooled and recombined more than the faster gas.

Spitzer, Lyman, Jr.↗
NASA NTRS2020

Global-scale distribution of ozone in the remote troposphere from ATom and HIPPO airborne field missions

Ozone is a key constituent of the troposphere, where it drives photochemical processes, impacts air quality, and acts as a climate forcer. Large-scale in situ observations of ozone commensurate with the grid resolution of current Earth system models are necessary to validate model outputs and satellite retrievals. In this paper, we examine measurements from the Atmospheric Tomography (ATom; four deployments in 2016–2018) and the HIAPER Pole-to-Pole Observations (HIPPO; five deployments in 2009–2011) experiments, two global-scale airborne campaigns covering the Pacific and Atlantic basins. ATom and HIPPO represent the first global-scale, vertically resolved measurements of O3 distributions throughout the troposphere, with HIPPO sampling the atmosphere over the Pacific and ATom sampling both the Pacific and Atlantic. Given the relatively limited temporal resolution of these two campaigns, we first compare ATom and HIPPO ozone data to longer-term observational records to establish the representativeness of our dataset. We show that these two airborne campaigns captured on average 53 %, 54 %, and 38 % of the ozone variability in the marine boundary layer, free troposphere, and upper troposphere–lower stratosphere (UTLS), respectively, at nine well-established ozonesonde sites. Additionally, ATom captured the most frequent ozone concentrations measured by regular commercial aircraft flights in the northern Atlantic UTLS. We then use the repeated vertical profiles from these two campaigns to confirm and extend the existing knowledge of tropospheric ozone spatial and vertical distributions throughout the remote troposphere. We highlight a clear hemispheric gradient, with greater ozone in the Northern Hemisphere, consistent with greater precursor emissions and consistent with previous modeling and satellite studies. We also show that the ozone distribution below 8 km was similar in the extra-tropics of the Atlantic and Pacific basins, likely due to zonal circulation patterns. However, twice as much ozone was found in the tropical Atlantic as in the tropical Pacific, due to well-documented dynamical patterns transporting continental air masses over the Atlantic. Finally, we show that the seasonal variability of tropospheric ozone over the Pacific and the Atlantic basins is driven year-round by transported continental plumes and photochemistry, and the vertical distribution is driven by photochemistry and mixing with stratospheric air. This new dataset provides additional constraints for global climate and chemistry models to improve our understanding of both ozone production and loss processes in remote regions, as well as the influence of anthropogenic emissions on baseline ozone.

ATom, aircraft profiles, Atlantic pollution, ozone↗
DOE OSTI2025

PhaseT3M: 3D imaging at 1.6 Å resolution via electron cryo-tomography with nonlinear phase retrieval

Electron cryo-tomography (cryo-ET) enables 3D imaging of complex, radiation-sensitive structures with molecular detail. However, image contrast from the interference of scattered electrons is nonlinear with atomic density and multiple scattering further complicates interpretation. These effects degrade resolution, particularly in conventional reconstruction algorithms, which assume linearity. Particle averaging can reduce such issues but is unsuitable for heterogeneous or dynamic samples ubiquitous in biology, chemistry, and materials sciences. Here, we develop a phase retrieval-based cryo-ET method, PhaseT3M. We experimentally demonstrate its application to an approximately 7 nm Co3O4 nanoparticle on an approximately 30 nm carbon substrate, achieving a maximum resolution of 1.6 Å, surpassing conventional limits using standard cryo-TEM equipment. PhaseT3M uses a multislice model for multiple scattering and Bayesian optimization for alignment and computational aberration correction, with a positivity constraint to recover ‘missing wedge’ information. Applied directly to biological particles, it enhances reconstruction quality and reduces artifacts, establishing a standard for routine 3D imaging with phase contrast.

Biophysics↗
NASA NTRS2003

Understanding the Wind/Ejecta of ETA Carinae with the STIS

The mysterious Luminous Blue Variable, Eta Carinae, and its ejecta, the Homunculus, are yielding much new and exciting information to the Space Telescope Imaging Spectrograph (STIS). With 0.05 in. pixels and R=5000, we have followed changes in the Central Source and the surrounding ejecta over the past 5.5 year period in the spectral region 1650-10300A. Neutral, partially-ionized and highly-excited nebular regions have been resolved. With 0.025 in., R=30000 and R=120000 between 1180 and 3160A, we are following the changes in the Central Source, the wind structure and at least 20 absorption components, thought to be within the wall of the Humunculus. The Central Source proves to be slightly extended at HST angular resolutions. Theoretical models of the nebular line fluxes are providing new insight to the sources of excitation. Photo-excitation, line and continuum pumping, plus shocks, all play a role. Laboratory measurements of Fe-like elements and improved atomic data bases prove necessary for proper interpretation. Increased angular resolution by larger-aperture space telescopes and improved optics and detectors will lead to new understanding of massive stars, their wind structures and history of ejecta.

Gull, Theodore R.↗
DOE OSTI2020

Atomic force microscopy: Emerging illuminated and operando techniques for solar fuel research

Integrated photoelectrochemical devices rely on the synergy between components to efficiently generate sustainable fuels from sunlight. The micro- and/or nanoscale characteristics of the components and their interfaces often control critical processes of the device, such as charge-carrier generation, electron and ion transport, surface potentials, and electrocatalysis. Understanding the spatial properties and structure–property relationships of these components can provide insight into designing scalable and efficient solar fuel components and systems. These processes can be probed ex situ or in situ with nanometer-scale spatial resolution using emerging scanning-probe techniques based on atomic force microscopy (AFM). In this Perspective, we summarize recent developments of AFM-based techniques relevant to solar fuel research. We review recent progress in AFM for (1) steady-state and dynamic light-induced surface photovoltage measurements; (2) nanoelectrical conductive measurements to resolve charge-carrier heterogeneity and junction energetics; (3) operando investigations of morphological changes, as well as surface electrochemical potentials, currents, and photovoltages in liquids. Opportunities for research covered here include: (1) control of ambient conditions for performing AFM measurements; (2) in situ visualization of corrosion and morphological evolution of electrodes; (3) operando AFM techniques to allow nanoscale mapping of local catalytic activities and photo-induced currents and potentials.

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

Universally Accessible Structural Data on Macromolecular Conformation, Assembly, and Dynamics by Small Angle X-Ray Scattering for DNA Repair Insights.

Structures provide a critical breakthrough step for biological analyses, and small angle X-ray scattering (SAXS) is a powerful structural technique to study dynamic DNA repair proteins. As toxic and mutagenic repair intermediates need to be prevented from inadvertently harming the cell, DNA repair proteins often chaperone these intermediates through dynamic conformations, coordinated assemblies, and allosteric regulation. By measuring structural conformations in solution for both proteins, DNA, RNA, and their complexes, SAXS provides insight into initial DNA damage recognition, mechanisms for validation of their substrate, and pathway regulation. Here, we describe exemplary SAXS analyses of a DNA damage response protein spanning from what can be derived directly from the data to obtaining super resolution through the use of SAXS selection of atomic models. We outline strategies and tactics for practical SAXS data collection and analysis. Making these structural experiments in reach of any basic and clinical researchers who have protein, SAXS data can readily be collected at government-funded synchrotrons, typically at no cost for academic researchers. In addition to discussing how SAXS complements and enhances cryo-electron microscopy, X-ray crystallography, NMR, and computational modeling, we furthermore discuss taking advantage of recent advances in protein structure prediction in combination with SAXS analysis.

Chinnam, Naga Babu↗
DOE OSTI2024

Radiation damage study of POCO ZXF-5Q graphite for neutrino production targets using 4.5 MeV helium ions

To address the challenges of increased beam power and target survivability associated with next-generation particle production beam lines, high dose, high-energy proton beam conditions are simulated using irradiation from low-energy ion beams. A low-energy ion irradiation study of POCO ZXF-5Q graphite under conditions similar to those of the NuMI NT-02 neutrino production target at the Fermi National Accelerator Laboratory is reported. Helium ion irradiation was performed at 100 ∘ C to a maximum damage level of 0.9 displacements per atom (DPA). Irradiation induced hardening, swelling of the irradiated region, inter-plane lattice expansion, and intraplane lattice contraction with increasing ion fluence was observed using micromechanical (nanoindentation, atomic force microscopy) and electron microscopy (high-resolution imaging, selected area diffraction) characterization. Similar changes were also observed in post irradiation examination of the NT-02 target indicating that ion irradiation can be a valuable tool for estimating radiation damage in proton beam targets. Caution must be exercised though, because the hardening, lattice alteration, and swelling occur to different magnitudes for a given damage level. The observed hardening and embrittlement were greater for ion irradiated graphite. For He ion irradiated samples the lattice spacing changes were smaller at low damage levels (78% less expansion and 71% less contraction at 0.1 DPA) and larger at high damage levels (38% more expansion and 5% more contraction at 0.9 DPA) relative to that observed in the NT-02 target. The magnitude of swelling was 8.5× greater under ion irradiation which is influenced by the differing damage gradients and inclusion of implanted He ions in the region of interest.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Improving the characterization of fusion in a MuSIC detector by spatial localization

Multi-Sampling Ionization Chambers (MuSIC) provide an efficient means of measuring nuclear reactions with low beam rates (< 10 6 pps). However, in comparison to thin-target measurements, prior measurements using MuSIC detectors all manifest fusion excitation functions with wide error bars in the energy dimension. This uncertainty limits the applicability of these devices in measuring near and sub-barrier fusion cross-sections. Key to overcoming this limitation is spatial localization of the fusion in the detector. By comparing the measured ionization in the MuSIC detector with accurate energy loss calculations the position of the fusion in the detector is determined. The analysis not only provides the desired improvement in energy resolution, but it also allows extraction of the atomic number of the evaporation residues following fusion. Furthermore, the effectiveness of this approach is demonstrated for 18 O+ 12 C measured with MuSIC@Indiana.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Imaging the electron charge density in monolayer MoS 2 at the Ångstrom scale

Four-dimensional scanning transmission electron microscopy (4D-STEM) has recently gained widespread attention for its ability to image atomic electric fields with sub-Ångstrom spatial resolution. These electric field maps represent the integrated effect of the nucleus, core electrons and valence electrons, and separating their contributions is non-trivial. In this paper, we utilized simultaneously acquired 4D-STEM center of mass (CoM) images and annular dark field (ADF) images to determine the projected electron charge density in monolayer MoS 2 . We evaluate the contributions of both the core electrons and the valence electrons to the derived electron charge density; however, due to blurring by the probe shape, the valence electron contribution forms a nearly featureless background while most of the spatial modulation comes from the core electrons. Our findings highlight the importance of probe shape in interpreting charge densities derived from 4D-STEM and the need for smaller electron probes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Automatic parameter selection for electron ptychography via Bayesian optimization

Abstract Electron ptychography provides new opportunities to resolve atomic structures with deep sub-angstrom spatial resolution and to study electron-beam sensitive materials with high dose efficiency. In practice, obtaining accurate ptychography images requires simultaneously optimizing multiple parameters that are often selected based on trial-and-error, resulting in low-throughput experiments and preventing wider adoption. Here, we develop an automatic parameter selection framework to circumvent this problem using Bayesian optimization with Gaussian processes. With minimal prior knowledge, the workflow efficiently produces ptychographic reconstructions that are superior to those processed by experienced experts. The method also facilitates better experimental designs by exploring optimized experimental parameters from simulated data.

42 ENGINEERING↗
DOE OSTI2025

Structure and ultrafast dynamics of tri-nuclear Ag-/Tl–Pt 2 POP 4 complexes in solution

The energetics and dynamics of ion assembly in solution has broad influence in nanomaterials and inorganic synthesis. To investigate the fundamental processes involved, we present a time-resolved x-ray solution scattering (TR-XSS) study of the trinuclear silver and thallium complexes of the diplatinum ion PtPOP [Pt 2 (H 2 P 2 O 5 )$_4^{4−}$] in aqueous solution. These complexes, their structural properties, and their electronic structure are not well understood and afford a unique opportunity to study the metal–metal bond formation that influences molecular and material assembly in solution. We present model-independent analysis of the observed dynamics as well as an analysis incorporating time-resolved structural refinements of key bond lengths with $<$100 fs time resolution. We find that upon photoexcitation, the Pt atoms contract ∼0.25 Å toward the center of both the Ag- and the Tl-PtPOP complexes, as previously observed for the PtPOP anion. For the AgPtPOP system, an ultrafast Ag-Pt bond expansion of ∼0.2 Å is observed, whereas in contrast, the TlPtPOP system exhibits a Tl-Pt bond contraction of ∼0.3 Å upon photoexcitation. For both complexes, the change in electronic state leads to coherent (“wave-packet”) oscillations along the metal–Pt coordinates. Based on these structural dynamics, we propose an electronic structure model that describes the metal–metal bonding behavior in both the ground and excited state for both complexes.

Lenzen, Philipp [Technical Univ. of Denmark, Lyngb↗
DOE OSTI2022

Cryo-EM structure of RNA-induced tau fibrils reveals a small C-terminal core that may nucleate fibril formation

In neurodegenerative diseases including Alzheimer’s and amyotrophic lateral sclerosis, proteins that bind RNA are found in aggregated forms in autopsied brains. Evidence suggests that RNA aids nucleation of these pathological aggregates; however, the mechanism has not been investigated at the level of atomic structure. Here, we present the 3.4-Å resolution structure of fibrils of full-length recombinant tau protein in the presence of RNA, determined by electron cryomicroscopy (cryo-EM). The structure reveals the familiar in-register cross-β amyloid scaffold but with a small fibril core spanning residues Glu391 to Ala426, a region disordered in the fuzzy coat in all previously studied tau polymorphs. RNA is bound on the fibril surface to the positively charged residues Arg406 and His407 and runs parallel to the fibril axis. The fibrils dissolve when RNase is added, showing that RNA is necessary for fibril integrity. While this structure cannot exist simultaneously with the tau fibril structures extracted from patients’ brains, it could conceivably account for the nucleating effects of RNA cofactors followed by remodeling as fibrils mature.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

GeSn alloys with ∼21% Sn grown by effusion cell molecular beam epitaxy

We report the epitaxial growth of high quality GeSn alloys with Sn compositions up to 21.25 ± 1% by effusion-cell molecular beam epitaxy (MBE). Achieving such a high Sn content with effusion cells is particularly significant, since these sources typically impose stronger radiative heating on the substrate, which is a factor long considered a major obstacle to high-Sn GeSn epitaxy. Contrary to the prevailing assumption that high growth rates are good for suppressing Sn segregation, we demonstrate that carefully controlled low fluxes, combined with stable ultra-low substrate temperatures, enable significant Sn incorporation even under effusion-cell conditions. Structural analyses by high-resolution x-ray diffraction, reciprocal space mapping, atomic force microscopy, and transmission electron microscopy confirm sharp interfaces, high crystallinity, and smooth surfaces at high Sn contents. Furthermore, these findings establish the feasibility of MBE-grown high-Sn GeSn even under diffusion cells, thereby broadening opportunities for Si-compatible photonic and quantum devices.

Alloys↗
DOE OSTI2023

Temperature Control of Crystal Optics for Ultrahigh-Resolution Applications

The temperature control of crystal optics is critical for ultrahigh resolution applications such as those used in meV-resolved Inelastic Scattering. Due to the low count rate and long acquisition time of these experiments, for 1-meV energy resolution, the absolute temperature stability of the crystal optics must be maintained below 4 mK to ensure the required stability of lattice constant, thereby ensuring the energy stability of the optics. Furthermore, the temperature control with sub-mK precision enables setting the absolute temperature of individual crystal, making it possible to align the reflection energy of each crystal’s rocking curve in sub-meV resolution thereby maximizing the combined efficiency of the crystal optics. In this contribution, we report the details of an EPICS control system using PT1000 sensors, Keithley 3706A 7.5 digits sensor scanner, and Wiener MPOD LV power supply for the analyzer crystals of the Inelastic X-ray Scattering (IXS) beamline 10-ID at NSLS-II**. We were able to achieve absolute temperature stability below 1 mK and sub-meV energy alignment for several asymmetrically cut analyzer crystals. The EPICS ePID record was used for the control of the power supplies based on the PT1000 sensor input that was read with 7.5 digits accuracy from the Keithley 3706A scanner. The system enhances the performance of the meV-resolved IXS spectrometer with currently a 1.4 meV total energy resolution and unprecedented spectral sharpness for studies of atomic dynamics in a broad range of materials.

Gofron, Kaz↗
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.↗
DOE OSTI2023

Modeling of transient interference phenomena in colinear laser spectroscopy

Colinear laser spectroscopy of fast atomic beams has been established as one of the main tools to perform precision experiments with atoms containing short-lived nuclei. Although highly sensitive, the spectral resolution of these techniques is typically limited to several MHz. Here, we study the use of transient interference phenomena to potentially improve the experimental resolution. Previous attempts to implement Ramsey-type measurements with fast beams were limited by the lack of understanding of the observed line shapes. Additionally, by using a simple model, we provide a satisfactory description of the previously observed line shapes and propose alternative experimental schemes to improve the resolution in fast ion-beam experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗