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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Structural analysis of wild-type and Val120Thr mutant Candida boidinii formate dehydrogenase by X-ray crystallography

Candida boidinii NAD + -dependent formate dehydrogenase (CbFDH) has gained significant attention for its potential application in the production of biofuels and various industrial chemicals from inorganic carbon dioxide. The present study reports the atomic X-ray crystal structures of wild-type CbFDH at cryogenic and ambient temperatures, as well as that of the Val120Thr mutant at cryogenic temperature, determined at the Turkish Light Source ‘Turkish DeLight’. The structures reveal new hydrogen bonds between Thr120 and water molecules in the active site of the mutant CbFDH, suggesting increased stability of the active site and more efficient electron transfer during the reaction. Further experimental data is needed to test these hypotheses. Collectively, these findings provide invaluable insights into future protein-engineering efforts that could potentially enhance the efficiency and effectiveness of CbFDH.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A low noise CMOS camera system for 2D resonant inelastic soft X-ray scattering

Resonant Inelastic X-ray Scattering (RIXS) is a powerful spectroscopic technique to study quantum properties of materials in the bulk. A novel variant of RIXS, called 2D RIXS, enables concurrent measurement of the scattered X-ray spectrum for a wide range of input energies, improving on the typically low throughput of 1D RIXS. In the soft X-ray domain, 2D RIXS demands an X-ray camera system with small pixels, large area, high quantum efficiency and low noise to limit the false detection rate in long duration exposures. We designed and implemented a 7.5 Megapixel back-illuminated CMOS detector with 5 μm pixels and high quantum efficiency in the 200–1,000 eV X-ray energy range for the QERLIN 2D RIXS spectrometer at the Advanced Light Source. The QERLIN beamline and detector are currently in commissioning. The camera noise from in-situ 3 s long dark exposures is 7e - or less and the leakage current is 6.5 × 10 -3 e - /(pixel ∙ s). For individual 500 eV X-rays, the expected efficiency is greater than 75% and the false detection rate is ~1 × 10 -5 per pixel.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Free electron lasers driven by plasma accelerators: status and near-term prospects

Owing to their ultra-high accelerating gradients, combined with injection inside micrometer-scale accelerating wakefield buckets, plasma-based accelerators hold great potential to drive a new generation of free-electron lasers (FELs). Indeed, the first demonstration of plasma-driven FEL gain was reported recently, representing a major milestone for the field. Several groups around the world are pursuing these novel light sources, with methodology varying in the use of wakefield driver (laser-driven or beam-driven), plasma structure, phase-space manipulation, beamline design, and undulator technology, among others. This paper presents our best attempt to provide a comprehensive overview of the global community efforts towards plasma-based FEL research and development.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Best Practices in PEC Water Splitting: How to Reliably Measure Solar-to-Hydrogen Efficiency of Photoelectrodes

Photoelectrochemical (PEC) water splitting, which utilizes sunlight and water to produce hydrogen fuel, is potentially one of the most sustainable routes to clean energy. One challenge to success is that, to date, similar materials and devices measured in different labs or by different operators lead to quantitatively different results, due to the lack of accepted standard operating procedures and established protocols for PEC efficiency testing. With the aim of disseminating good practices within the PEC community, we provide a vetted protocol that describes how to prepare integrated components and accurately measure their solar-to-hydrogen (STH) efficiency (η STH ). This protocol provides details on electrode fabrication, η STH test device assembly, light source calibration, hydrogen evolution measurement, and initial material qualification by photocurrent measurements under monochromatic and broadband illumination. Common pitfalls in translating experimental results from any lab to an accurate STH efficiency under an AM1.5G reference spectrum are discussed. A III–V tandem photocathode is used to exemplify the process, though with small modifications, the protocol can be applied to photoanodes as well. Dissemination of PEC best practices will help those approaching the field and provide guidance for comparing the results obtained at different lab sites by different groups.

08 HYDROGEN↗
DOE OSTI2020

Magnetic Field Optimization of an In-Vacuum Undulator at NSLS-II Transactions on Applied Superconductivity

A 3.0 m long In-Vacuum Undulator (IVU) is employed at the National Synchrotron Light Source II (NSLS-II) for the Hard X-ray Nanoprobe (HXN) beamline providing structural and X-ray fluorescence imaging with world-leading spatial resolution. On July 1 st 2018 a gearbox shaft in the gap drive train assembly sheared due to corrosion fatigue caused by stress due to mechanical misalignment. Furthermore, the device was extracted from the storage ring and measured. The magnetic field measurements detected a degradation of the magnetic performance as well as a localized demagnetization of the magnetic modules of the first 3 upstream periods. We describe here the mechanical repairs and the magnetic phase shimming optimization implemented to restore the spectral performance of the device.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Speciation mapping of the oxidation layer on aged uranium dioxide using scanning transmission x-ray spectromicroscopy

In this study, UO 2 was aged in humid air and prepared as a thin section using a focused ion beam (FIB) instrument. The specimen was measured using synchrotron radiation spectromicroscopy techniques at the Beamline 11.0.2 STXM end station of the Advanced Light Source (ALS). Non-negative matrix factorization (NMF) methods were used to identify and map three component x-ray absorption near-edge structure (XANES) spectra in the oxygen K-edge data, revealing a surface layer of U 4 O 9 with a thickness of 206 ± 21 nm, and the bulk of the sample remaining as UO 2 . Uranium N 4,5 -edge XANES spectromicroscopy supports these results. The diffusion-controlled parabolic rate constant for UO 2 oxidation to U 4 O 9 was calculated from the observed layer thickness and compared to literature values. Complementary transmission electron microscopy (TEM) was used to image the sample and identify the phases present in various regions, confirming the STXM results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Phasing Magnet for CSX-2 Beamline at NSLS-II

A phasing magnet has been developed at National Synchrotron Light Source II (NSLS-II) for the Coherent Soft X-ray Scattering (CSX) beamline. The phasing magnet will be located at the center of the straight section in between two identical and independent variably polarized APPLE-II devices. Based on Permanent Magnet technology, the phasing magnet has been designed to achieve the required electron beam delay to properly adjust the phase matching of these two consecutive EPUs (Elliptically Polarizing Undulators) and ensure a positive interference between the photon beam emitted in each device. Also this paper will describe the mechanical and magnetic design together with the final field measurements and magnetic tuning results. Also, the spectral performance of the two EPUs and the method used to properly set the field strength of the phasing magnet for any given radiation wavelength and polarization mode will be presented as well.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Short pulsewidth high repetition rate nanosecond transient absorption spectrometer

A high-sensitivity nanosecond to millisecond transient absorption spectrometer for measurements of miniscule signals under low excitation intensities includes an excitation source generating a >100 Hz, <5 ns pulsewidth excitation pulse for exciting a light absorbing sample, a probe light source for generating a high photon flux probe light beam producing an average irradiance greater than 1 μW m-2 nm-1 for measuring the transient absorption spectrum of the sample before and after excitation by the excitation source, a DC-coupled detector capable of measuring light for enabling synchronous measurement of both the transmission of the probe light beam and the change in transmission of the probe light beam between a signal with the excitation pulse present and a signal in the absence of the excitation pulse, and a digital oscilloscope with a trigger rearm time capable of collecting every trigger event at frequencies including 1MHz, for enabling sequential noise subtraction protocols.

Rimshaw, Adam↗
DOE OSTI2024

Recent progress in high-temperature superconducting undulators

Considerable effort has been devoted to the development of superconducting undulators (SCUs) intended for particle accelerator-based light sources, including synchrotrons and free electron laser (FEL) facilities. Recently, a high-temperature superconducting (HTS) undulator prototype, consisting of staggered-array Re-Ba-Cu-O bulks, achieved an on-axis sinusoidal magnetic field profile with a peak amplitude B$_0$ of 2.1 T and a period length of 10 mm, resulting in a deflection parameter K = 1.96. Such a short period HTS undulator not only enables the generation of higher-energy photons, but also supports the construction of economically feasible and compact FELs with shorter linear accelerators (LINACs). This article provides a comprehensive review of recent advances in the staggered-array bulk HTS undulator as well as other types of HTS undulators. Furthermore, it offers insights into the development of engineering HTS undulator prototypes designed for deployment in synchrotron and free electron laser (FEL) facilities. We conclude by discussing opportunities for and the challenges facing the use of HTS undulators in practical applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Structural Characterization of TRAF6 N-Terminal for Therapeutic Uses and Computational Studies on New Derivatives

Tumor necrosis factor receptor-associated factors (TRAFs) are a protein family with a wide variety of roles and binding partners. Among them, TRAF6, a ubiquitin ligase, possesses unique receptor binding specificity and shows diverse functions in immune system regulation, cellular signaling, central nervous system, and tumor formation. TRAF6 consists of an N-terminal Really Interesting New Gene (RING) domain, multiple zinc fingers, and a C-terminal TRAF domain. TRAF6 is an important therapeutic target for various disorders and structural studies of this protein are crucial for the development of next-generation therapeutics. Here, we presented a TRAF6 N-terminal structure determined at the Turkish light source “Turkish DeLight” to be 3.2 Å resolution at cryogenic temperature (PDB ID: 8HZ2). This structure offers insight into the domain organization and zinc-binding, which are critical for protein function. Since the RING domain and the zinc fingers are key targets for TRAF6 therapeutics, structural insights are crucial for future research. Separately, we rationally designed numerous new compounds and performed molecular docking studies using this template (PDB ID:8HZ2). According to the results, 10 new compounds formed key interactions with essential residues and zinc ion in the N-terminal region of TRAF6. Molecular dynamic (MD) simulations were performed for 300 ns to evaluate the stability of three docked complexes (compounds 256, 322, and 489). Compounds 256 and 489 was found to possess favorable bindings with TRAF6. These new compounds also showed moderate to good pharmacokinetic profiles, making them potential future drug candidates as TRAF6 inhibitors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

LCLS Big Data Handling – How I Learned to Stop Worrying and Love the Data Deluge

Advanced data and computing systems are vital to Linac Coherent Light Source (LCLS) operations, data interpretation and overall scientific productivity. The transition to MHz-era operation marks a fundamental change in scale that requires new infrastructure and architectures to link LCLS to the required scale of computing needed for scientific interpretation. The LCLS-II Data System meets big data challenges by implementing configurable data reduction that can adapt to multiple science areas, real-time analysis frameworks to provide visualization and fast feedback, and the ability to transfer data to local and remote computational facilities for near real time analysis at the appropriate scale. Feature extracted information generated in the data analysis pipeline - at the edge, local compute, or remote High-Performance Computing (HPC) resources - can be used to steer experiments and inform user decisions during beam time. Artificial Intelligence and Machine Learning (AI/ML) techniques present new opportunities to rapidly analyse large datasets and direct experiments, but create new challenges in scaling, adaptability, complexity, and trustworthiness. We describe how the LCLS-II Data System architecture addresses its data-driven challenges in the areas of data acquisition, data processing, data management, and workflow orchestration to decrease the overall time-to-science and provide a vision for future developments.

artificial intelligence↗
DOE OSTI2025

X-ray microscopy and talbot imaging with the matter in extreme conditions X-ray imager at LCLS

The last decade has shown the great potential that X-ray Free Electron Lasers (FEL) have to study High Energy Density (HED) physics. Experiments at FELs have made significant breakthroughs in Shock Physics and Dynamic Diffraction, Dense Plasma Physics and Warm Dense Matter Science, using techniques such as isochoric heating, inelastic scattering, small angle scattering and X-ray diffraction. In addition, and complementary to these techniques, the coherent properties of the FEL beam can be used to image HED samples with high fidelity. We present new imaging diagnostics and techniques developed at the Matter in Extreme Conditions (MEC) instrument at Linac Coherent Light Source (LCLS) over the last few years. We show results in Phase Contrast Imaging geometry, where the X-ray beam propagates from the target to a camera revealing its phase, as well as in Direct Imaging geometry, where a real image of the sample plane is produced in the camera with a spatial resolution down to 200 nm. Last, we show an implementation of the Talbot Imaging method allowing both X-ray phase and intensity measurements change introduced by a target with sub-micron resolution.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

The Path to Enlightenment: Progress and Opportunities in High Efficiency Halide Perovskite Light-Emitting Devices

Besides the flourishment in photovoltaics, halide perovskites hold great promise to compete with leading contenders among solution-processed emitters, such as organics and semiconductor colloidal nanocrystals, in the field of light emission. Halide perovskites exhibit outstanding optoelectronic properties, including high photoluminescence quantum yields, facile bandgap tunability, narrow emission line widths, and respectable carrier mobilities, promoting them to thrive in versatile light-emitting applications such as light-emitting diodes, lasers, X-ray scintillators, and circularly polarized light sources. Herein, we discuss the underlying physics of light emission in state-of-the-art perovskite light-emitting devices and focus on promising strategies for further improvement of device performance.

42 ENGINEERING↗
DOE OSTI2024

Enhancing Diagnosis through AI-driven Analysis of Reflectance Confocal Microscopy

Reflectance Confocal Microscopy (RCM) is a non-invasive imaging technique used in biomedical research and clinical dermatology. It provides virtual high-resolution images of the skin and superficial tissues, reducing the need for physical biopsies. RCM employs a laser light source to illuminate the tissue, capturing the reflected light to generate detailed images of microscopic structures at various depths. Recent studies explored AI and machine learning, particularly CNNs, for analyzing RCM images. Our study proposes a segmentation strategy based on textural features to identify clinically significant regions, empowering dermatologists in effective image interpretation and boosting diagnostic confidence. This approach promises to advance dermatological diagnosis and treatment.

Yoon, Hong-Jun↗
DOE OSTI2022

Development and testing of a performance evaluation methodology to assess the reliability of occupancy sensor systems in residential buildings

With the emergence of advanced occupancy sensor technologies to better detect occupancy in buildings, a universal methodology and metrics are required to evaluate and report sensor systems’ reliability and compare the performance across multiple sensor systems. Herein this research presents a methodology to assess the reliability of occupancy sensor systems in residential buildings in a controlled laboratory environment, including both “typical” and “failure” testing scenarios. The developed methodology was then implemented to evaluate a novel occupancy detection sensor system’s reliability. “Typical” testing evaluates the overall accuracy of the sensor system, which suggest how reliable the occupancy sensor system is over time. Results show that on average, the precision and recall are 0.75 and 0.70, indicating similar numbers of false positives and false negatives across the dataset. The overall accuracy of the tested sensor system was 62.4% to 76.4%. Failure testing results indicate whether there are influential variables impacting the sensor performance. For the tested sensor system, the number of occupants, presence of large objects, presence of interior light sources, and number of doors are not influential, while lighting level, location of occupants, additional door in the entry/exit area, and having the TV on are variables determined to impact the sensor system performance.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Updated constraints on asteroid-mass primordial black holes as dark matter

Microlensing of stars places significant constraints on subplanetary-mass compact objects, including primordial black holes, as dark matter candidates. As the lens’ Einstein radius in the source plane becomes comparable to the size of the light source, however, source amplification is strongly suppressed, making it challenging to constrain lenses with a mass at or below 10 –10 solar masses, i.e., asteroid-mass objects. Current constraints, using Subaru Hyper Suprime Cam (HSC) observations of M31, assume a fixed source size of one solar radius. However, the actual stars in M31 bright enough to be used for microlensing are typically much larger. We correct the HSC constraints by constructing a source size distribution based on the M31 PHAT survey and on a synthetic stellar catalog and by correspondingly weighting the finite-size source effects. In this work, we find that the actual HSC constraints are weaker by up to almost 3 orders of magnitude in some cases, broadening the range of masses for which primordial black holes can be the totality of the cosmological dark matter by almost 1 order of magnitude.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Laser-driven plasma sources of intense, ultrafast, and coherent radiation

High-power lasers can deliver extreme light intensities, but avoiding damage in optical components requires large beam sizes, hindering further advances. The use of plasma as a medium for generating and manipulating light avoids the damage thresholds of solid materials and can support extraordinarily bright radiation. In this work, we discuss here how parametric plasma amplification and relativistic high-order harmonic generation offer paths to the development of light sources with peak powers beyond the capabilities of solid-state optics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Identifications of RR Lyrae Stars and Quasars from the Simulated Data of Mephisto-W Survey

We have investigated the feasibilities and accuracies of the identifications of RR Lyrae stars and quasars from the simulated data of the Multi-channel Photometric Survey Telescope (Mephisto) W Survey. Based on the variable sources light curve libraries from the Sloan Digital Sky Survey (SDSS) Stripe 82 data and the observation history simulation from the Mephisto-W Survey Scheduler, we have simulated the uvgriz multi-band light curves of RR Lyrae stars, quasars and other variable sources for the first-year observation of Mephisto W Survey. We have applied the ensemble machine learning algorithm Random Forest Classifier (RFC) to identify RR Lyrae stars and quasars, respectively. We build training and test samples and extract ~150 features from the simulated light curves and train two RFCs respectively for the RR Lyrae star and quasar classification. We find that, our RFCs are able to select the RR Lyrae stars and quasars with remarkably high precision and completeness, with purity = 95.4% and completeness = 96.9% for the RR Lyrae RFC and purity = 91.4% and completeness = 90.2% for the quasar RFC. In conclusion, we have also derived relative importances of the extracted features utilized to classify RR Lyrae stars and quasars.

(galaxies:) quasars: general↗