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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Neighboring Pd single atoms surpass isolated single atoms for selective hydrodehalogenation catalysis

Single atom catalysts have been found to exhibit superior selectivity over nanoparticulate catalysts for catalytic reactions such as hydrogenation due to their single-site nature. However, improved selectively is often accompanied by loss of activity and slow kinetics. Here we demonstrate that neighboring Pd single atom catalysts retain the high selectivity merit of sparsely isolated single atom catalysts, while the cooperative interactions between neighboring atoms greatly enhance the activity for hydrogenation of carbon-halogen bonds. Experimental results and computational calculations suggest that neighboring Pd atoms work in synergy to lower the energy of key meta-stable reactions steps, i.e., initial water desorption and final hydrogenated product desorption. The placement of neighboring Pd atoms also contribute to nearly exclusive hydrogenation of carbon-chlorine bond without altering any other bonds in organohalogens. The promising hydrogenation performance achieved by neighboring single atoms sheds light on a new approach for manipulating the activity and selectivity of single atom catalysts that are increasingly studied in multiple applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the Existence of the Plateau Emission in High-energy Gamma-Ray Burst Light Curves Observed by Fermi-LAT

The Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope (Fermi) shows long-lasting high-energy emission in many gamma-ray bursts (GRBs), similar to X-ray afterglows observed by the Neil Gehrels Swift Observatory (Swift). Some LAT light curves (LCs) show a late-time flattening reminiscent of X-ray plateaus. We explore the presence of plateaus in LAT temporally extended emission analyzing GRBs from the second Fermi-LAT GRB Catalog from 2008 to 2016 May with known redshifts, and check whether they follow closure relations corresponding to four distinct astrophysical environments predicted by the external forward shock model. We find that three LCs can be fit by the same phenomenological model used to fit X-ray plateaus and show tentative evidence for the existence of plateaus in their high-energy extended emission. The most favorable scenario is a slow-cooling regime, whereas the preferred density profile for each GRBs varies from a constant-density interstellar medium to an r –2 wind environment. We also compare the end time of the plateaus in γ-rays and X-rays using a statistical comparison with 222 Swift GRBs with plateaus and known redshifts from 2005 January to 2019 August. Within this comparison, the case of GRB 090510 shows an indication of chromaticity at the end time of the plateau. Finally, we update the 3D fundamental plane relation among the rest-frame end time of the plateau, its correspondent luminosity, and the peak prompt luminosity for 222 GRBs observed by Swift. We find that these three LAT GRBs follow this relation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

All-optical single-shot complete electric field measurement of extreme ultraviolet free electron laser pulses

Recent advances in ultrafast extreme ultraviolet (EUV) and x-ray light sources provide direct access to fundamental time and length scales for biology, chemistry, and materials physics. However, such light pulses are challenging to measure due to the need for femtosecond time resolution at difficult-to-detect wavelengths. Also, single-shot measurements are needed because severe pulse-to-pulse fluctuations are common. Here we demonstrate single-shot, complete field measurements by applying a novel version of frequency resolved optical gating. An EUV free electron laser beam creates a transient grating containing the pulse’s electric field information, which is read out with a 400 nm probe pulse. By varying the time delay between two copies of the EUV pump, rather than between the pump and the probe, we separate the needed coherent wave mixing from the slow incoherent response. Because this approach uses photoionization, it should be applicable from the vacuum ultraviolet to hard x rays.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evidence for Impact of Galaxy Mergers on Stellar Kinematics of Early-type Galaxies

We provide observational evidence that galaxy mergers significantly affect stellar kinematics of early-type galaxies (ETGs) such as specific stellar angular momentum within the half-light radius (${\lambda }_{{R}_{e}}$) and kinematic misalignment (ψ mis ), using MaNGA integral field unit spectroscopic data that are in the Stripe 82 region of the Sloan Digital Sky Survey. In this study, tidal features around ETGs, which are detected in deep coadded images, are used as direct evidence for mergers that occurred recently. In the case of ETGs that do not have dust lanes, ${\lambda }_{{R}_{e}}$ is lower in ETGs with tidal features than in those without tidal features (median ${\lambda }_{{R}_{e}}$: 0.21 versus 0.39) in all stellar mass and Sérsic index ranges except the most massive bin, so that the fraction of ETGs with tidal features in slow rotators is more than twice as large as that in fast rotators (42% versus 18%). Moreover, ETGs with tidal features have larger ψ mis than those without tidal features (mean ψ mis : 28° versus 15°). By contrast, ETGs with dust lanes are fast rotators, and ETGs with both dust lanes and tidal features have the highest ${\lambda }_{{R}_{e}}$ (median ${\lambda }_{{R}_{e}}$: 0.59) among all ETG categories. In addition, ETGs with dust lanes have small ψ mis regardless of the existence of tidal features (Ψ mis <7$^{°}_{.}$5). Our results can be explained if mergers with different gas fractions generate merger remnants that have different kinematic properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

The Photoactive Excited State of the B 12 -Based Photoreceptor CarH

In this study we have used transient absorption spectroscopy in the UV–visible and X-ray regions to characterize the excited state of CarH, a protein photoreceptor that uses a form of B 12 , adenosylcobalamin (AdoCbl), to sense light. With visible excitation, a nanosecond-lifetime photoactive excited state is formed with unit quantum yield. The time-resolved X-ray absorption near edge structure difference spectrum of this state demonstrates that the excited state of AdoCbl in CarH undergoes only modest structural expansion around the central cobalt, a behavior similar to that observed for methylcobalamin rather than for AdoCbl free in solution. We propose a new mechanism for CarH photoreactivity involving formation of a triplet excited state. This allows the sensor to operate with high quantum efficiency and without formation of potentially dangerous side products. By stabilizing the excited electronic state, CarH controls reactivity of AdoCbl and enables slow reactions that yield nonreactive products and bypass bond homolysis and reactive radical species formation.

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

The velocity-dependent J -factor of the Milky Way halo: does what happens in the galactic bulge stay in the galactic bulge?

Here, we consider the angular distribution of the photon signal which could arise from velocity-dependent dark matter annihilation within the Galactic bulge. We find that, for the case of Sommerfeld-enhanced annihilation, dark matter annihilation within the bulge is dominated by slow speed particles which never leave the bulge, allowing one to find a simple analytic relationship between the dark matter profile within the Galactic bulge and the angular distribution. On the other hand, for the case p- or d-wave annihilation, we find that the small fraction of high-speed particles which can leave the bulge provide a significant, often dominant, contribution to dark matter annihilation within the bulge. For these scenarios, fully understanding dark matter annihilation deep within the Galactic bulge, and the angular distribution of the resulting photon signal, requires an understanding of the dark matter profile well outside the bulge. We consider the Galactic Center excess in light of these results, and find that an explanation of this excess in terms of p-wave annihilation would require the dark matter profile within the bulge to have a much steeper profile than usually considered, but with uncertainties related to the behavior of the profile outside the bulge.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Formation of wide-blocky calcite veins by extreme growth competition

Liassic limestones on the coast of Somerset in the UK contain dense arrays of calcite microveins with a common, but poorly understood microstructure, characterized by laterally wide crystals that form bridges across the vein. We investigated the mechanisms of formation and evolution of these ‘wide-blocky’ vein microstructures using a combination of high-resolution analytical methods, including virtual petrography, optical cathodoluminescence and scanning electron microscopy techniques (e.g. energy-dispersive X-ray spectrometry, back-scattered electron imaging, cathodoluminescence and electron back-scattered diffraction), laboratory experiments and multiphase field modelling. Our results indicate that the studied veins formed in open, fluid-filled fractures, each in a single opening and sealing episode. As shown by the optical and electron back-scattered diffraction images, the vein crystals grew epitaxially on grains of the wall rock and we hypothesize that their growth rates differed depending on whether the crystals were on a wall rock grain substrate that fractured intergranularly (slow growth rates) or transgranularly (rapid growth rates). Our multiphase field models support this hypothesis, showing that wide, blocky crystals only form where there are significant differences in the growth rate and are dependent on the type of seed grain. These results provide strong evidence for extreme growth competition, a process that we propose controls vein-filling in many micritic carbonate reservoirs, as well as demonstrate that the characteristics of the fracture wall can affect the filling processes in syntaxial veins. Supplementary material: The description and images of the studied thin sections are available at https://doi.org/10.6084/m9.figshare.c.5172371 . High-resolution optical microscopy mosaics (under plane-polarized- and crossed polarized light) of the thin section collection in PetroScan file format are available on request from the authors.

Geology↗
DOE OSTI2025

Asymmetric rotations slow down diffusion under confinement

Translation and rotation are the two most fundamental forms of diffusion, yet their coupling mechanism is not clear, especially under confinement. Here, we provided evidence of the coupling between rotation and translation using a substituted benzene molecule as an example. A counterintuitive behavior was observed where the movement of the smaller molecule with an asymmetric shape was unexpectedly slower than the larger one with a symmetric shape in confined channels of zeolite. We showed that this diffusion behavior was caused by the presence of the specific and selective interaction of the asymmetric guest with the pores, which increased the local restricted residence time, thus inhibiting the translation under confinement, as further confirmed by dynamic breakthrough curves, uptake measurements, quasi-elastic neutron scattering, and 2 H solid-state NMR techniques. Our work correlated asymmetric rotation and diffusion under a confined environment, which enriched our understanding of the coupling between rotation and translation and could shed light on a fundamental understanding of the diffusion process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Effects of X-rays on Perovskite Solar Cells

Synchrotron micro- and nanoprobe beamlines have demonstrated great potential to advance photovoltaic devices. Most importantly, their small X-ray spot size has enabled the direct correlation of electrical performance with elemental composition at subgrain resolution for a variety of polycrystalline solar cells. Whereas the bulk of most inorganic semiconductors is stable under the high X-ray flux of focused X-ray beams, semiconductors with organic components are prone to a variety of degradation mechanisms. This is particularly critical to evaluate for the emerging organometal halide perovskite solar cells. In this study, we investigate the effects of hard X-rays on the nanoscale performance and elemental distribution of these solar cells. We show that their composition does not change during common operando and in situ measurements at synchrotron nanoprobes. However, we found a significant X-ray-induced electronic degradation of solar cells with methylammonium lead iodide absorbers. Time- and dose-dependent measurements unveiled two characteristic degradation time constants on the order of 12 and 200 s that are independent of the X-ray flux. On the basis of heat and dose simulations, we attribute the fast decay to the dose-driven creation of recombination centers, while the slow decay is compatible with the observation of compositional changes. Finally, we detail how degradation-induced measurement artifacts can be outrun and showcase the high correlation of the X-ray-beam-induced current with the iodine and lead distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The DAMIC-M Low Background Chamber

The DArk Matter In CCDs at Modane (DAMIC-M) experiment isdesigned to search for light dark matter (m$_{χ}$ < 10 GeV/c$^{2}$)at the Laboratoire Souterrain de Modane (LSM) in France. DAMIC-Mwill use skipper charge-coupled devices (CCDs) as a kg-scale activedetector target. Its single-electron resolution will enable eV-scaleenergy thresholds and thus world-leading sensitivity to a range ofhidden sector dark matter candidates. A DAMIC-M prototype, the LowBackground Chamber (LBC), has been taking data at LSM since2022. The LBC provides a low-background environment, which has beenused to characterize skipper CCDs, study dark current, and measureradiopurity of materials planned for DAMIC-M. It also allows testingof various subsystems like readout electronics, data acquisitionsoftware, and slow control. This paper describes the technicaldesign and performance of the LBC.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Neuromorphic Information Processing by Optical Media

Classification of features in a scene typically requires conversion of the incoming photonic field int the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ x 100λ with aperture density λ -2 achieve ~96% testing accuracy on the MNIST dataset, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Co-Design of Free-Space Metasurface Optical Neuromorphic Classifiers for High Performance

Classification of features in a scene typically requires conversion of the incoming photonic field into the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ × 100λ with an aperture density λ –2 achieve ~96% testing accuracy on the MNIST data set, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Removal of spurious data in Bragg coherent diffraction imaging: an algorithm for automated data preprocessing

Bragg coherent diffraction imaging (BCDI) provides a powerful tool for obtaining high-resolution structural information from nanocrystalline materials. Here a BCDI sample consisting of a large number of randomly oriented nanoscale crystals is considered. Ideally, only one crystal is oriented to produce a Bragg peak on the detector. However, diffraction from other crystals often produces additional signals on the detector. Before the measured diffraction patterns can be processed into structural images, scientists routinely need to manually identify and remove the `alien' intensities from sources other than the intended crystal. With the development of modern high-coherence storage rings, such as the upgraded Advanced Photon Source (APS), the already slow process of manual preprocessing will be untenable for the large volumes of data that will be produced. An automated method of identifying and deleting alien intensities is proposed. This method exploits the fact that BCDI of a perfect crystal produces diffraction data with inversion symmetry around the Bragg peak. This approach uses the machine learning clustering method DBSCAN to distinguish between diffraction from multiple sources, and then calculates cluster size and inversion symmetry to assess whether clusters of intensity belong to desired data or alien signals. This approach can dramatically reduce the amount of time spent manually processing data, allowing BCDI data processing capabilities to keep pace with the technological advances of fourth-generation synchrotron light sources.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ultrafast electronic relaxation pathways of the molecular photoswitch quadricyclane

Abstract The light-induced ultrafast switching between molecular isomers norbornadiene and quadricyclane can reversibly store and release a substantial amount of chemical energy. Prior work observed signatures of ultrafast molecular dynamics in both isomers upon ultraviolet excitation but could not follow the electronic relaxation all the way back to the ground state experimentally. Here we study the electronic relaxation of quadricyclane after exciting in the ultraviolet (201 nanometres) using time-resolved gas-phase extreme ultraviolet photoelectron spectroscopy combined with non-adiabatic molecular dynamics simulations. We identify two competing pathways by which electronically excited quadricyclane molecules relax to the electronic ground state. The fast pathway (<100 femtoseconds) is distinguished by effective coupling to valence electronic states, while the slow pathway involves initial motions across Rydberg states and takes several hundred femtoseconds. Both pathways facilitate interconversion between the two isomers, albeit on different timescales, and we predict that the branching ratio of norbornadiene/quadricyclane products immediately after returning to the electronic ground state is approximately 3:2.

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

Regulators of early maize leaf development inferred from transcriptomes of laser capture microdissection (LCM)-isolated embryonic leaf cells

The superior photosynthetic efficiency of C 4 leaves over C 3 leaves is owing to their unique Kranz anatomy, in which the vein is surrounded by one layer of bundle sheath (BS) cells and one layer of mesophyll (M) cells. Kranz anatomy development starts from three contiguous ground meristem (GM) cells, but its regulators and underlying molecular mechanism are largely unknown. To identify the regulators, we obtained the transcriptomes of 11 maize embryonic leaf cell types from five stages of pre-Kranz cells starting from median GM cells and six stages of pre-M cells starting from undifferentiated cells. Principal component and clustering analyses of transcriptomic data revealed rapid pre-Kranz cell differentiation in the first two stages but slow differentiation in the last three stages, suggesting early Kranz cell fate determination. In contrast, pre-M cells exhibit a more prolonged transcriptional differentiation process. Differential gene expression and coexpression analyses identified gene coexpression modules, one of which included 3 auxin transporter and 18 transcription factor (TF) genes, including known regulators of Kranz anatomy and/or vascular development. In situ hybridization of 11 TF genes validated their expression in early Kranz development. We determined the binding motifs of 15 TFs, predicted TF target gene relationships among the 18 TF and 3 auxin transporter genes, and validated 67 predictions by electrophoresis mobility shift assay. From these data, we constructed a gene regulatory network for Kranz development. Our study sheds light on the regulation of early maize leaf development and provides candidate leaf development regulators for future study.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

SDSS-IV MaNGA: The kinematic-morphology of galaxies on the mass versus star-formation relation in different environments

ABSTRACT We study the link between the kinematic-morphology of galaxies, as inferred from integral-field stellar kinematics, and their relation between mass and star formation rate. Our sample consists of ∼3200 galaxies with integral-field spectroscopic data from the MaNGA survey (Mapping Nearby Galaxies at Apache Point Observatory) with available determinations of their effective stellar angular momentum within the half-light radius $\lambda _{R_e}$. We find that for star-forming galaxies, namely along the star formation main sequence (SFMS), the $\lambda _{R_e}$ values remain large and almost unchanged over about two orders of magnitude in stellar mass, with the exception of the lowest masses $\mathcal {M}_{\star }\lesssim 2\times 10^{9} \, \mathcal {M}_{\odot }$, where $\lambda _{R_e}$ slightly decreases. The SFMS is dominated by spiral galaxies with small bulges. Below the SFMS, but above the characteristic stellar mass $\mathcal {M}_{\rm crit}\approx 2\times 10^{11} \, \mathcal {M}_{\odot }$, there is a sharp decrease in $\lambda _{R_e}$ with decreasing star formation rate (SFR): massive galaxies well below the SFMS are mainly slow-rotator early-type galaxies, namely genuinely spheroidal galaxies without discs. Below the SFMS and below $\mathcal {M}_{\rm crit}$ the decrease of $\lambda _{R_e}$ with decreasing SFR becomes modest or nearly absent: low-mass galaxies well below the SFMS, are fast-rotator early-type galaxies, and contain fast-rotating stellar discs like their star-forming counterparts. We also find a small but clear environmental dependence for the massive galaxies: in the mass range $10^{10.9}\!-\!10^{11.5} \, \mathcal {M}_{\odot }$, galaxies in rich groups or denser regions or classified as central galaxies have lower values of $\lambda _{R_e}$. While no environmental dependence is found for galaxies of lower mass. We discuss how the above results can be understood as due to the different star formation and mass assembly histories of galaxies with varying mass.

Wang, Bitao↗
DOE OSTI2021

Recommended methods for conducting human factors experiments on the subjective evaluation of colour rendition

This article explores the best practices for conducting psychophysical experiments that investigate how colour rendition influences the perception of architectural environments. Here, we offer guidance that covers all stages of research from preliminary development to publication, focusing especially on experiments that investigate qualities such as perceived naturalness, vividness, preference or acceptability in response to changes in the spectral power distribution of light sources. This article is intended to be a consolidated guide for researchers and reviewers of this type of research. Key recommendations include: (1) New work should be motivated by clearly expressed research questions and, when possible, explicit hypotheses that build on the existing body of knowledge, (2) visual stimuli comprising spectral power distributions and visual targets should be deliberately engineered to probe the research questions, (3) experiments should be designed to lessen potential biases, (4) reporting of experimental conditions and statistical analyses should be thorough and (5) Results should be contextual, resisting overgeneralization that cannot be supported by the data. Our motivation is to encourage high-quality research that is credible and discourage poor quality research that slows scientific progress and misuses resources.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2021

Interaction of radio frequency waves with cylindrical density filaments: scattering and radiation pressure

The propagation of radio-frequency (RF) waves in tokamaks can be affected by filamentary structures, or blobs, that are present in the edge plasma and the scrape-off layer. The difference in the permittivity between the surrounding plasma and interior of a filament leads to reflection, refraction and diffraction of the waves. This, in turn, can affect the power flow into the core of the plasma and reduce the efficiency of heating and/or current generation. The scattering of RF waves, lower hybrid, helicon and ion cyclotron waves, by a single cylindrical filament, embedded in a background plasma, is studied using a full-wave analytical theory developed previously (Ram & Hizanidis, Phys. Plasmas , vol. 23, 2016, 022504). The theory assumes that the plasma in and around a filament is homogeneous and cold. A detailed scattering analysis reveals a variety of common features that exist among the three distinctly different RF waves. These common attributes can be inferred intuitively based on an examination of the cold plasma dispersion relation. The physical intuition is a useful step to understanding experimental observations on scattering, as well as results from simulations that include general forms of edge plasma turbulence. While a filament can affect the propagation of RF waves, the radiation force exerted by the waves can influence the filament. The force on a filament is determined using the Maxwell stress tensor. In 1905, Poynting was the first to evaluate and measure the radiation force on an interface separating two different dielectric media (Poynting, London Edinburgh Dublin Philos. Mag. J. Sci. , vol. 9, 1905, pp. 393–406). For ordinary light propagating in vacuum and incident on a glass surface, Poynting noted that the surface is ‘pulled’ towards the vacuum. In a magnetized cold plasma, there are two independent wave modes. Even if only one of these modes is excited by an RF antenna, a filament will couple power to the other mode: a consequence of electromagnetic boundary conditions. This facet of scattering has consequences on the radiation force that go beyond Poynting's seminal contribution. The direction of the force depends on the polarization of the incident wave and on the mode structure of the waves inside and in the vicinity of a filament. It can either pull the filament toward the RF source or push it away. For slow lower hybrid waves, filaments with densities greater than the ambient density are pulled in, while filaments with lower densities are pushed out, thereby enhancing the density in front of the antenna. In the case of fast helicon and ion cyclotron waves, the direction of the force depends on the plasma and wave parameters; in particular, on the ambient density. The radiation force, in all three frequency ranges, is large enough to affect the motion of a filament and could be measured experimentally. This also suggests the possibility of modifying the edge turbulence using RF waves.

Physics↗