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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction

Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers. Indeed, X-ray crystallography is well suited for such a measurement, owing to its ability to spatially resolve the scattering contributions of individual metal atoms that have distinct electronic environments contributing to protein function. However, as the magnitude of the shift is quite small, about +2 eV per valence state for iron, it has only been possible to measure the effect when performed with monochromated X-ray sources at synchrotron facilities with energy resolutions in the range 2–3 × 10 −4 (Δ E / E ). This paper tests whether X-ray free-electron laser (XFEL) pulses, which have a broader bandpass (Δ E / E = 3 × 10 −3 ) when used without a monochromator, might also be useful for such studies. The program nanoBragg is used to simulate serial femtosecond crystallography (SFX) diffraction images with sufficient granularity to model the XFEL spectrum, the crystal mosaicity and the wavelength-dependent anomalous scattering factors contributed by two differently charged iron centers in the 110-amino-acid protein, ferredoxin. Bayesian methods are then used to deduce, from the simulated data, the most likely X-ray absorption curves for each metal atom in the protein, which agree well with the curves chosen for the simulation. The data analysis relies critically on the ability to measure the incident spectrum for each pulse, and also on the nanoBragg simulator to predict the size, shape and intensity profile of Bragg spots based on an underlying physical model that includes the absorption curves, which are then modified to produce the best agreement with the simulated data. This inference methodology potentially enables the use of SFX diffraction for the study of metalloenzyme mechanisms and, in general, offers a more detailed approach to Bragg spot data reduction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Cadmium Magnesium Telluride for Next Generation X-Ray Free Electron Laser, Synchrotron and Many Other Applications

We developed a picosecond photodetector based on our Bridgman grown and specially engineered Cadmium Magnesium Telluride (Cd 1-x Mg x Te) single crystal that is sensitive to both optical and x-ray pulses for coarse timing in Free Electron Laser applications. Cd 1-x Mg x Te is a wide bandgap semiconductor material with potential applications, not only in optoelectronics, but also in particle physics as an intense pulse radiation detector for bremsstrahlung, X-ray/gamma ray radiation, thermal neutrons, and medical imaging. However, for femtosecond optical and x-ray cross correlation, the material has to have very short lifetime, a condition that is opposite to that required for nuclear spectroscopy applications. At the same time, the material also needs to have very low bulk leakage current, in the 0.10 pA range. Hence the ability to tailor or engineer the material is very crucial. In this paper, picosecond response and the crystal growth of this specially engineered cadmium magnesium telluride material will be presented. Other material characterization and transient measurements will also be discussed along with room temperature semiconductor detector performance for other nuclear radiation detection applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

First Sagittarius A* Event Horizon Telescope Results. VII. Polarization of the Ring

Abstract The Event Horizon Telescope observed the horizon-scale synchrotron emission region around the Galactic center supermassive black hole, Sagittarius A* (Sgr A*), in 2017. These observations revealed a bright, thick ring morphology with a diameter of 51.8 ± 2.3 μas and modest azimuthal brightness asymmetry, consistent with the expected appearance of a black hole with mass M ≈ 4 × 106 M ⊙. From these observations, we present the first resolved linear and circular polarimetric images of Sgr A*. The linear polarization images demonstrate that the emission ring is highly polarized, exhibiting a prominent spiral electric vector polarization angle pattern with a peak fractional polarization of ∼40% in the western portion of the ring. The circular polarization images feature a modestly (∼5%–10%) polarized dipole structure along the emission ring, with negative circular polarization in the western region and positive circular polarization in the eastern region, although our methods exhibit stronger disagreement than for linear polarization. We analyze the data using multiple independent imaging and modeling methods, each of which is validated using a standardized suite of synthetic data sets. While the detailed spatial distribution of the linear polarization along the ring remains uncertain owing to the intrinsic variability of the source, the spiraling polarization structure is robust to methodological choices. The degree and orientation of the linear polarization provide stringent constraints for the black hole and its surrounding magnetic fields, which we discuss in an accompanying publication.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

NGC 4869 in the Coma Cluster: Twist, Wrap, Overlap, and Bend

The upgraded Giant Metrewave Radio Telescope (GMRT) has been used to image the head–tail radio galaxy NGC 4869 in the Coma cluster with an angular resolution of 6.″26 at 250–500 MHz and 2.″18 at the 1050–1450 MHz bands. The archival legacy GMRT data have also been used to image the source with angular resolutions from 4.″9 to 21.″8 at 610 MHz, 325 MHz, 240 MHz, and 150 MHz. We find that the ∼200 kpc scale radio morphology consists of five distinct regions with the clear presence of a pinch at ≈1.′4 (=38.8 kpc) and a ridge at ≈3.′4 (=94.2 kpc) from the head. The sharp bend by ∼70° at ∼3.′5 (=97 kpc) from the head is possibly due to projection effects. The radio spectra show progressive spectral steepening as a function of distance from the head and there is possibly re-acceleration of the synchrotron electrons and perhaps also magnetic field regeneration in the 6″–208″ (=2.8–96.1 kpc) region of the jet. We report a steep spectrum sheath layer enveloping a flat spectrum spine, hinting at a transverse velocity structure with a fast-moving spine surrounded by a slow-moving sheath layer. We also derive the lifetimes of the radiating electrons and equipartition parameters. A plausible explanation for the characteristic feature, a ridge of emission perpendicular to the direction of tail is the flaring of a straight, collimated radio jet as it crosses a surface brightness edge due to Kelvin–Helmholtz instabilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

From irregular to regular eutectic growth in the Al-Al 3 Ni system: In situ observations during directional solidification

Here we investigate the irregular eutectic growth dynamics of the Al-Al 3 Ni alloy, in which one of the solid phases (Al 3 Ni) grows faceted from the liquid. Leveraging in situ optical microscopy and synchrotron transmission x-ray microscopy, we address the question of the degree of coupling between Al and Al 3 Ni at the growth front and that of the shape of the microstructures left behind in the bulk solid during directional solidification. Real-time optical observations bring evidence for a morphological transition from a eutectic-grain dependent, irregular eutectic growth at low solidification velocity V (typically 1 μm s -1 ), to a weakly anisotropic, regular growth at higher V ( reaching 10 μm s -1 ). Unprecedented x-ray nano-imaging of the solid–liquid interface, and 3D characterization of the growth patterns, were made possible by a new DS setup at Brookhaven National Laboratory’s NSLS-II. At low V, the leading tips of partly faceted Al 3 Ni crystals are observed to grow not far ahead of the Al growth front. Correlating in situ images and postmortem 3D tomographic reconstructions reveals that the presence of faceted and non-faceted regions of Al 3 Ni crystals in the solid is a direct consequence of coupling and decoupling during DS, respectively. Upon increasing V, the lead distance of Al 3 Ni vanishes, and the shape of Al 3 Ni ceases to be governed by faceted growth. These observations cast light onto the basic mechanisms (faceted growth, diffusive coupling, and the dynamics of trijunctions) governing a faceted to rod-like transition upon increasing V in the Al 3 Ni system, with broad implications to a large class of irregular eutectics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Temperature-Dependent Morphological Evolution during Corrosion of the Ni-20Cr Alloy in Molten Salt Revealed by Multiscale Imaging

Understanding the mechanisms leading to the degradation of alloys in molten salts at elevated temperatures is significant for developing several key energy generation and storage technologies, including concentrated solar and next-generation nuclear power plants. Specifically, the fundamental mechanisms of different types of corrosion leading to various morphological evolution characteristics for changing reaction conditions between the molten salt and alloy remain unclear. Here, in this work, the three-dimensional (3D) morphological evolution of Ni–20Cr in KCl–MgCl 2 is studied at 600 °C by combining in situ synchrotron X-ray and electron microscopy techniques. By further comparing different morphology evolution characteristics in the temperature range of 500–800 °C, the relative rates between diffusion and reaction at the salt–metal interface lead to different morphological evolution pathways, including intergranular corrosion and percolation dealloying. In this work, the temperature-dependent mechanisms of the interactions between metals and molten salts are discussed, providing insights for predicting molten salt corrosion in real-world applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Proof-of-concept Talbot–Lau x-ray interferometry with a high-intensity, high-repetition-rate, laser-driven K-alpha source

Talbot–Lau x-ray interferometry is a grating-based phase-contrast technique, which enables measurement of refractive index changes in matter with micrometric spatial resolution. The technique has been established using a variety of hard x-ray sources, including synchrotron, free-electron lasers, and x-ray tubes, and could be used in the optical range for low-density plasmas. The tremendous development of table-top high-power lasers makes the use of high-intensity, laser-driven K-alpha sources appealing for Talbot–Lau interferometer applications in both high-energy-density plasma experiments and biological imaging. To this end, we present the first, to the best of our knowledge, feasibility study of Talbot–Lau phase-contrast imaging using a high-repetition-rate laser of moderate energy (100 mJ at a repetition rate of 10 Hz) to irradiate a copper backlighter foil. The results from up to 900 laser pulses were integrated to form interferometric images. A constant fringe contrast of 20% is demonstrated over 100 accumulations, while the signal-to-noise ratio continued to increase with the number of shots. Phase retrieval is demonstrated without prior ex-situ phase stepping. Instead, correlation matrices are used to compensate for the displacement between reference acquisition and the probing of a PMMA target rod. The steps for improved measurements with more energetic laser systems are discussed. The final results are in good agreement with the theoretically predicted outcomes, demonstrating the applicability of this diagnostic to a range of laser facilities for use across several disciplines.

Bouffetier, V. (ORCID:0000000160791260)↗
DOE OSTI2021

Visible emission spectra of thermographic phosphors under x-ray excitation

Thermographic phosphors have been employed for temperature sensing in challenging environments, such as on surfaces or within solid samples exposed to dynamic heating, because of the high temporal and spatial resolution that can be achieved using this approach. Typically, UV light sources are employed to induce temperature-sensitive spectral responses from the phosphors. However, it would be beneficial to explore x-rays as an alternate excitation source to facilitate simultaneous x-ray imaging of material deformation and temperature of heated samples and to reduce UV absorption within solid samples being investigated. Here, the phosphors BaMgAl 10 O 17 :Eu (BAM), Y 2 SiO 5 :Ce, YAG:Dy, La 2 O 2 S:Eu, ZnGa 2 O 4 :Mn, Mg 3 F 2 GeO 4 :Mn, Gd 2 O 2 S:Tb, and ZnO were excited using incident synchrotron x-ray radiation. These materials were chosen to include conventional thermographic phosphors as well as x-ray scintillators (with crossover between these two categories). X-ray-induced thermographic behavior was explored through the measurement of visible spectral response with varying temperature. The incident x-rays were observed to excite the same electronic energy level transitions in these phosphors as UV excitation. Similar shifts in the spectral response of BAM, Y 2 SiO 5 :Ce, YAG:Dy, La 2 O 2 S:Eu, ZnGa 2 O 4 :Mn, Mg 3 F 2 GeO 4 :Mn, and Gd 2 O 2 S:Tb were observed when compared to their response to UV excitation found in literature. Some phosphors were observed to thermally quench in the temperature ranges tested here, while the response from others did not rise above background noise levels. This may be attributed to the increased probability of non-radiative energy release from these phosphors due to the high energy of the incident x-rays. These results indicate that x-rays can serve as a viable excitation source for phosphor thermometry.

42 ENGINEERING↗
DOE OSTI2022

Vorticity-induced flow-focusing leads to bubble entrainment in an inkjet printhead: Synchrotron x-ray and volume-of-fluid visualizations

The oscillatory flows present in an inkjet printhead can lead to strong deformations of the air-liquid interface at the nozzle exit. Such deformations may lead to an inward directed air jet with bubble pinch-off and the subsequent entrainment of an air bubble, which is highly detrimental to the stability of inkjet printing. Understanding the mechanisms of bubble entrainment is therefore crucial to improving print stability. Here, in the present work, we use ultrafast x-ray phase-contrast imaging and direct numerical simulations based on the volume-of-fluid method to study the mechanisms underlying the bubble entrainment in a piezoacoustic printhead. We first demonstrate good agreement between experiments and numerics. We then show the different classes of bubble pinch-off obtained in experiments, and that those were also captured numerically. The numerical results are then used to show that the baroclinic torque, which is generated at the gas-liquid interface due to the misalignment of density and pressure gradients, results in a flow-focusing effect that drives the formation of the air jet from which a bubble can pinch off.

42 ENGINEERING↗
DOE OSTI2024

Structural, Electrochemical, and (De)lithiation Mechanism Investigation of Cation-Disordered Rocksalt and Spinel Hybrid Nanomaterials in Lithium-Ion Batteries

Significant demand for lithium-ion batteries necessitates alternatives to Co- and Ni-based cathode materials. Cation-disordered materials using earth-abundant elements are being explored as promising candidates. Here, in this paper, we demonstrate a coprecipitation synthetic approach that allows direct preparation of disordered rocksalt Li 2.4 Fe 1.0 Ti 1.0 O 4.7 (r-LFTO·C) and spinel structured hybrid Li 0.5 Fe 1.0 Ti 0.9 O 3.2 ·C (s-LFTO·C) nanoparticles with a conformal conductive carbon coating. High-angle annular dark-field imaging coupled with electron energy loss spectroscopy mapping shows uniform Fe/Ti distribution with minor compositional variation among particles. Cation disorder was confirmed for both of the materials at an atomic level, with a short-range order more pronounced in r-LFTO·C. Operando X-ray absorption spectroscopy, ex situ hard X-ray photoelectron spectroscopy, ex situ soft X-ray absorption spectroscopy, and ex situ synchrotron X-ray diffraction were used to investigate (de)lithiation in the bulk and at the surface. Structurally, the r-LFTO·C demonstrated reversible partial Fe center migration between octahedral and tetrahedral sites during (de)lithiation. The r-LFTO·C evidenced that the redox of O was coincident with iron redox during initial electrochemical cycling, while iron redox dominated later cycling. In contrast, s-LFTO·C electrochemistry involved iron redox throughout the cycling process. The findings rationalize the differences in the electrochemistry where r-LFTO·C shows higher initial capacity yet poorer capacity retention over a voltage window where O redox can be accessed, while the s-LFTO·C shows lower initial capacity yet improved capacity retention.

25 ENERGY STORAGE↗
DOE OSTI2023

Synchrotron X-rays reveal the modes of Fe binding and trace metal storage in the brown algae Laminaria digitata and Ectocarpus siliculosus

Abstract Iron is accumulated symplastically in kelp in a non-ferritin core that seems to be a general feature of brown algae. Microprobe studies show that Fe binding depends on tissue type. The sea is generally an iron-poor environment and brown algae were recognized in recent years for having a unique, ferritin-free iron storage system. Kelp (Laminaria digitata) and the filamentous brown alga Ectocarpus siliculosus were investigated using X-ray microprobe imaging and nanoprobe X-ray fluorescence tomography to explore the localization of iron, arsenic, strontium, and zinc, and micro-X-ray absorption near-edge structure (μXANES) to study Fe binding. Fe distribution in frozen hydrated environmental samples of both algae shows higher accumulation in the cortex with symplastic subcellular localization. This should be seen in the context of recent ultrastructural insight by cryofixation–freeze substitution that found a new type of cisternae that may have a storage function but differs from the apoplastic Fe accumulation found by conventional chemical fixation. Zn distribution co-localizes with Fe in E. siliculosus, whereas it is chiefly located in the L. digitata medulla, which is similar to As and Sr. Both As and Sr are mostly found at the cell wall of both algae. XANES spectra indicate that Fe in L. digitata is stored in a mineral non-ferritin core, due to the lack of ferritin-encoding genes. We show that the L. digitata cortex contains mostly a ferritin-like mineral, while the meristoderm may include an additional component.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

High-dynamic-range transmission-mode detection of synchrotron radiation using X-ray excited optical luminescence in diamond

Enhancement of X-ray excited optical luminescence in a 100 µm-thick diamond plate by introduction of defect states via electron beam irradiation and subsequent high-temperature annealing is demonstrated. The resulting X-ray transmission-mode scintillator features a linear response to incident photon flux in the range 7.6 × 10 8 to 1.26 × 10 12 photons s -1 mm -2 for hard X-rays (15.9 keV) using exposure times from 0.01 to 5 s. These characteristics enable a real-time transmission-mode imaging of X-ray photon flux density without disruption of X-ray instrument operation.

Instruments & Instrumentation↗
DOE OSTI2022

Fast scanning in x-ray microscopy: the effects of offset in the central stop position

Scanning of lightweight circular diffractive optics, separate from central stops and apertures, is emerging as an approach to exploit advances in synchrotron x-ray sources. We consider the effects in a scanning microscope of offsets between the optic and its central stop and find that scan ranges of up to about half the diameter of the optic are possible with only about a 10% increase in the focal spot width. Finally, for large scanning ranges, we present criteria for the working distance between the last aperture and the specimen to be imaged.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Multimodal X-ray nano-spectromicroscopy analysis of chemically heterogeneous systems

Abstract Understanding the nanoscale chemical speciation of heterogeneous systems in their native environment is critical for several disciplines such as life and environmental sciences, biogeochemistry, and materials science. Synchrotron-based X-ray spectromicroscopy tools are widely used to understand the chemistry and morphology of complex material systems owing to their high penetration depth and sensitivity. The multidimensional (4D+) structure of spectromicroscopy data poses visualization and data-reduction challenges. This paper reports the strategies for the visualization and analysis of spectromicroscopy data. We created a new graphical user interface and data analysis platform named XMIDAS (X-ray multimodal image data analysis software) to visualize spectromicroscopy data from both image and spectrum representations. The interactive data analysis toolkit combined conventional analysis methods with well-established machine learning classification algorithms (e.g. nonnegative matrix factorization) for data reduction. The data visualization and analysis methodologies were then defined and optimized using a model particle aggregate with known chemical composition. Nanoprobe-based X-ray fluorescence (nano-XRF) and X-ray absorption near edge structure (nano-XANES) spectromicroscopy techniques were used to probe elemental and chemical state information of the aggregate sample. We illustrated the complete chemical speciation methodology of the model particle by using XMIDAS. Next, we demonstrated the application of this approach in detecting and characterizing nanoparticles associated with alveolar macrophages. Our multimodal approach combining nano-XRF, nano-XANES, and differential phase-contrast imaging efficiently visualizes the chemistry of localized nanostructure with the morphology. We believe that the optimized data-reduction strategies and tool development will facilitate the analysis of complex biological and environmental samples using X-ray spectromicroscopy techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Formation of three-dimensional bicontinuous structures via molten salt dealloying studied in real-time by in situ synchrotron X-ray nano-tomography

Abstract Three-dimensional bicontinuous porous materials formed by dealloying contribute significantly to various applications including catalysis, sensor development and energy storage. This work studies a method of molten salt dealloying via real-time in situ synchrotron three-dimensional X-ray nano-tomography. Quantification of morphological parameters determined that long-range diffusion is the rate-determining step for the dealloying process. The subsequent coarsening rate was primarily surface diffusion controlled, with Rayleigh instability leading to ligament pinch-off and creating isolated bubbles in ligaments, while bulk diffusion leads to a slight densification. Chemical environments characterized by X-ray absorption near edge structure spectroscopic imaging show that molten salt dealloying prevents surface oxidation of the metal. In this work, gaining a fundamental mechanistic understanding of the molten salt dealloying process in forming porous structures provides a nontoxic, tunable dealloying technique and has important implications for molten salt corrosion processes, which is one of the major challenges in molten salt reactors and concentrated solar power plants.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Sealing Mechanisms of a Fracture in Opalinus Clay as Revealed by in situ Synchrotron X-Ray Micro-Tomography

The detailed mechanisms of the sealing of a single fracture, from hydration to almost complete closure by increase of confining pressure, as monitored from in situ synchrotron X-ray microtomography during the flow of carbonated water, is here shown for the first time. Different mechanisms play the key role at different stages in the evolution of the fracture. Hydration mechanically weakens the surfaces of the fracture and induces a first closure due to microcracking at the asperity contacts, increasing their size and creating choke points. Increase in confining stress promptly hydraulically seals the fracture by closing the main choke point, with a relative small deformation of the sample. Finally, the more pervasive mechanical deformation observed at higher stresses almost completely seals the whole fracture. The evolution of the sample has been described and quantified using 4D image processing, focusing on the evolution of aperture and digital volume correlation. Hydraulic properties of the sample at different stages have been modeled via Stokes flow simulation, and the results compared to the morphometric analysis, finding positive correlations with the average fracture aperture variation along the flowpath in function of confining pressure. Opalinus Clay is found to be a rock markedly prone to sealing in case of flow with carbonated water; this behavior is the result of the large fraction of clays and of its microstructure, lacking both cementing phases and large stiff particles. CO2 in this sample has no evident role in the evolution of the fracture; chemically induced weathering on the surface has not been detected, in contrast with the behavior observed in samples with carbonates as cementing phase.

58 GEOSCIENCES↗
DOE OSTI2023

The high energy X-ray probe (HEX-P): Galactic PeVatrons, star clusters, superbubbles, microquasar jets, and gamma-ray binaries

HEX-P is a probe-class mission concept that will combine high spatial resolution X-ray imaging (<10" FWHM) and broad spectral coverage (0.2–80 keV) with an effective area far superior to current facilities (including XMM-Newton and NuSTAR) to enable revolutionary new insights into a variety of important astrophysical problems. With the recent discoveries of over 40 ultra-high-energy gamma-ray sources (detected above 100 TeV) and neutrino emission in the Galactic Plane, we have entered a new era of multi-messenger astrophysics facing the exciting reality of Galactic PeVatrons. In the next decade, as more Galactic PeVatrons and TeV gamma-ray sources are expected to be discovered, the identification of their acceleration and emission mechanisms will be the most pressing issue in both particle and high-energy astrophysics. In this paper, along with its companion papers, we will present that HEX-P is uniquely suited to address important problems in various cosmic-ray accelerators, including Galactic PeVatrons, through investigating synchrotron X-ray emission of TeV–PeV electrons produced by both leptonic and hadronic processes. For Galactic PeVatron candidates and other TeV gamma-ray sources, HEX-P can fill in a large gap in the spectral-energy distributions (SEDs) of many objects observed in radio, soft X-rays, and gamma rays, constraining the maximum energies to which electrons can be accelerated, with implications for the nature of the Galactic PeVatrons and their contributions to the spectrum of Galactic cosmic rays beyond the knee at ~3 PeV. In particular, X-ray observation with HEX-P and TeV observation with CTAO will provide the most powerful multi-messenger diagnostics to identify Galactic PeVatrons and explore a variety of astrophysical shock mechanisms. We present simulations of each class of Galactic TeV–PeV sources, demonstrating the power of both the imaging and spectral capabilities of HEX-P to advance our knowledge of Galactic cosmic-ray accelerators. In addition, we discuss HEX-P’s unique and complementary roles to upcoming gamma-ray and neutrino observatories in the 2030s.

79 ASTRONOMY AND ASTROPHYSICS↗