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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 109 records · Page 6

Reconstruction of unstable heavy particles using deep symmetry-preserving attention networks

Abstract Reconstructing unstable heavy particles requires sophisticated techniques to sift through the large number of possible permutations for assignment of detector objects to the underlying partons. An approach based on a generalized attention mechanism, symmetry preserving attention networks (SPA-NET), has been previously applied to top quark pair decays at the Large Hadron Collider which produce only hadronic jets. Here we extend the SPA-NET architecture to consider multiple input object types, such as leptons, as well as global event features, such as the missing transverse momentum. In addition, we provide regression and classification outputs to supplement the parton assignment. We explore the performance of the extended capability of SPA-NET in the context of semi-leptonic decays of top quark pairs as well as top quark pairs produced in association with a Higgs boson. We find significant improvements in the power of three representative studies: a search for$$t\bar{t}H$$ t t ¯ H , a measurement of the top quark mass, and a search for a heavy$${Z}^{{\prime} }$$ Z ′ decaying to top quark pairs. We present ablation studies to provide insight on what the network has learned in each case.

Physics↗

Demonstration of a two-dimensional divertor Thomson scattering system on DIII-D

Recent upgrades providing two-dimensional divertor Thomson scattering (DTS-2D) measurements of T e and n e during a DIII-D plasma shot and a thorough description of system components and their functionality are presented. This system expands the capabilities of the existing single divertor Floor measurement location by introducing seven additional laser beam path options in the poloidal plane, spanning major radii from 1.062 to 1.335 m. The system redirects ~1 J, 50 Hz Nd:YAG laser pulses to the new beam paths within 20 ms, stepping through each path on the divertor Floor every 200 ms during a plasma shot. The laser is redirected using an ex-vessel, fast-steering mirror to one of eight in-vessel beam paths oriented underneath the vessel tiles. Up to eleven measurement positions per beam path, from –1.35 to –1.13 m below the machine midplane, are available by dynamically refocusing the ex-vessel collection fiber array using a high-speed linear stage. As a result, current measurement positions above the divertor Shelf are retained via a hole in the fixed, in-vessel mirror, allowing laser pass through.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics

The UDP-2,3-diacylglucosamine pyrophosphate hydrolase LpxH is an essential lipid A biosynthetic enzyme that is conserved in the majority of gram-negative bacteria. It has emerged as an attractive novel antibiotic target due to the recent discovery of an LpxH-targeting sulfonyl piperazine compound (referred to as AZ1) by AstraZeneca. However, the molecular details of AZ1 inhibition have remained unresolved, stymieing further development of this class of antibiotics. In this paper we report the crystal structure of Klebsiella pneumoniae LpxH in complex with AZ1. We show that AZ1 fits snugly into the L -shaped acyl chain-binding chamber of LpxH with its indoline ring situating adjacent to the active site, its sulfonyl group adopting a sharp kink, and its N -CF 3 –phenyl substituted piperazine group reaching out to the far side of the LpxH acyl chain-binding chamber. Intriguingly, despite the observation of a single AZ1 conformation in the crystal structure, our solution NMR investigation has revealed the presence of a second ligand conformation invisible in the crystalline state. Together, these distinct ligand conformations delineate a cryptic inhibitor envelope that expands the observed footprint of AZ1 in the LpxH-bound crystal structure and enables the design of AZ1 analogs with enhanced potency in enzymatic assays. These designed compounds display striking improvement in antibiotic activity over AZ1 against wild-type K. pneumoniae , and coadministration with outer membrane permeability enhancers profoundly sensitizes Escherichia coli to designed LpxH inhibitors. Remarkably, none of the sulfonyl piperazine compounds occupies the active site of LpxH, foretelling a straightforward path for rapid optimization of this class of antibiotics.

59 BASIC BIOLOGICAL SCIENCES↗

Pathogenesis of Chapare Virus in Cynomolgus Macaques

Chapare virus (CHAPV) is an emerging New World arenavirus that is the causative agent of Chapare hemorrhagic fever (CHHF) responsible for recent outbreaks with alarmingly high case fatality rates in Bolivia near the Brazilian border. Here, we describe a nonhuman primate (NHP) model of CHHF infection which represents an essential tool to understand this emerging biological threat agent. Cynomolgus macaques challenged intravenously with CHAPV develop clinical disease, which recapitulates several key features of human CHHF. All subjects lost weight and had clinical scores following CHAPV challenge. Notably, one of four NHPs developed lethal disease with viral hepatitis and hemorrhagic features. Clinical chemistry and hematology revealed leukopenia, anemia, thrombocytopenia, and increased transaminase levels. In all four subjects, viremia was detectable for the first week following challenge and viral RNA was detectable in serum and many tissues persisting 35 days-post challenge. Several medical countermeasures (MCM) have efficacy against CHAPV infection in vitro, but the current model for MCM testing and approval of new drugs is reliant on the availability of animal models. This work lays the foundation for future CHHF MCM development.

60 APPLIED LIFE SCIENCES↗

Mechanical studies of the solid electrolyte interphase on anodes in lithium and lithium ion batteries

A stable solid electrolyte interphase (SEI) layer is key to high performing lithium ion batteries for metrics such as calendar and cycle life. The SEI must be mechanically robust to withstand large volumetric changes in anode materials such as lithium and silicon, so understanding the mechanical properties and behavior of the SEI is essential for the rational design of artificial SEI and anode form factors. The mechanical properties and mechanical failure of the SEI are challenging to study, because the SEI is thin at only ~ 10 – 200 nm thick and is air sensitive. Furthermore, the SEI changes as a function of electrode material, electrolyte and additives, temperature, potential, and formation protocols. A variety of in situ and ex situ techniques have been used to study the mechanics of the SEI on a variety of lithium ion battery anode candidates; however, there hasn't been a succinct review of the findings thus far. Because of the difficultly of isolating the true SEI and its mechanical properties, there have been a limited number of studies that can fully de-convolute the SEI from the anode it forms on. A review of past research will be helpful for culminating current knowledge and helping to inspire new innovations to better quantify and understand the mechanical behavior of the SEI. This review will summarize the different experimental and theoretical techniques used to study the mechanics of SEI on common lithium ion battery anodes and their strengths and weaknesses.

25 ENERGY STORAGE↗

Divertor characterization and access to dissipative divertor conditions in negative triangularity discharges in DIII-D

Reduced radial transport, short midplane-to-target parallel connection lengths, and a strong effect of cross-field drifts were responsible for the high densities required for detachment in strong negative triangularity (NT) configurations in DIII-D. Dissipative divertor conditions were achieved in NT discharges at different triangularity, injected power, plasma current, and toroidal field direction. Differences between negative and positive triangularity (PT) discharges are analyzed in this paper to understand the requirements for access to detached divertor conditions: power balance, geometry, radial transport and effect of cross-field particle drifts. Parametric dependencies of access to detachment on plasma current and power flowing into the scrape-off layer remained similar in negative and PT and impurity seeding was observed to reduce the density needed to detach by up to 30% at the expense of core impurity dilution. The impact of triangularity on core-edge integration was tested varying bottom triangularity at fixed top triangularity. The high density needed to detach was not intrinsic to the NT edge as shapes with positive lower triangularity and negative upper triangularity were able to detach at lower upstream densities while maintaining an ELM-free NT edge. Confinement degradation at deeper detachment levels was however observed in all NT shapes, often associated with radiation instabilities.

detachment↗

Design and physics basis for the upcoming DIII-D SAS-VW campaign to quantify tungsten leakage and transport in a new slot divertor geometry

A set of experiments are planned to exploit the high SOL collisionality enabled by a tightly baffled slot divertor geometry to suppress tungsten leakage in DIII-D. A toroidal row of graphite tiles from the Small Angle Slot (SAS) divertor is being coated with 10–15 μ m of tungsten. New spectroscopic viewing chords with in-vacuo optics will measure the W gross erosion source from the divertor surface with high spatial and temporal resolution. In parallel, the bottom of the SAS divertor is changed from a flat to a ‘V’ shape. New SOLPS-ITER/DIVIMP simulations conducted with drifts using the planned ‘V’ shape predict a substantial reduction in W sourcing and SOL accumulation in either B × ∇B direction relative to either the old SAS divertor shape or the open, lower divertor. Dedicated studies are planned to carefully characterize the level of W sourcing, leakage, and scrape-off-layer (SOL) accumulation in DIII-D over a wide range of plasma scenarios. Various actuators will be assessed for their efficacy in further reducing high-Z impurity sources and leakage from the slot divertor geometry. Finally, this coupled code-experiment validation effort will be used to stress-test physics models and build confidence in extrapolations to advanced, high-Z divertor geometries for next-step devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Toroidal injection angle dependence of EC assisted plasma initiation at DIII-D

An experimental scan of the electron cyclotron waves (EC) toroidal injection angle in plasma breakdown is performed at the DIII-D tokamak. The second harmonic, extraordinary mode EC is used for the study. The dependence of n e and T e on the EC injection angle cannot be conclusively drawn from this study due to the large error bars in the n e and T e measurements. On the other hand, high T e data points are observed in some discharges which can be explained by nonlinear heating. The D α emission measurement shows a clear relation between the breakdown time and the injection angle. An experimental investigation of the cause of the dependence of breakdown delay on the EC injection angle suggests that when the injection angle is oblique, the EC heating after the reflection at the inboard wall may become ineffective and cause the breakdown delay even when the EC heating before and directly upon injection remains effective. A preliminary run of the heat and transport balance code DYON indicates that the obtained dataset is suitable for a quantitative validation of EC absorption models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Can portable glucose and lactate meters be a useful tool in quantifying stress of juvenile Chinook salmon?

Blood plasma analyses can provide researchers, aquaculture facilities and fisheries managers with valuable insights into the physiological state and welfare of fish. For example, glucose and lactate are part of the secondary stress response system, and elevated concentrations are indicators of stress. However, analysing blood plasma in the field can be logistically difficult and typically involves sample storage and transport to quantify concentrations in a laboratory setting. Portable glucose and lactate meters offer an alternative to laboratory assays and have shown to be relatively accurate in fish, but these tools have only been validated for a few fish species. The objective of this study was to investigate if portable meters could be reliably used in Chinook salmon (Oncorhynchus tshawytscha). As part of a larger stress response study, juvenile Chinook salmon (157 ± 17 mm fork length [mean ± standard deviation; SD]) were exposed to stress-inducing treatments and sampled for blood. Laboratory reference glucose concentrations (milligrams per deciliter; mg/dl; n = 70) were positively correlated with the Accu-Check Aviva meter (Roche Diagnostics, Indianapolis, IN) measurements (R 2 = 0.79), although glucose values were 1.21 ± 0.21 (mean ± SD) times higher in the laboratory than with the portable meter. Lactate concentrations (milliMolar; mM; n = 52) of the laboratory reference were also positively correlated (R 2 = 0.76) with the Lactate Plus meter (Nova Biomedical, Waltham, MA) and were 2.55 ± 0.50 times higher than portable meter. Our results indicate both meters could be used to measure relative glucose and lactate concentrations in Chinook salmon and provide fisheries professionals with a valuable tool, particularly in remote field settings.

59 BASIC BIOLOGICAL SCIENCES↗

PYK-SubstitutionOME: an integrated database containing allosteric coupling, ligand affinity and mutational, structural, pathological, bioinformatic and computational information about pyruvate kinase isozymes

Interpreting changes in patient genomes, understanding how viruses evolve and engineering novel protein function all depend on accurately predicting the functional outcomes that arise from amino acid substitutions. To that end, the development of first-generation prediction algorithms was guided by historic experimental datasets. However, these datasets were heavily biased toward substitutions at positions that have not changed much throughout evolution (i.e. conserved). Although newer datasets include substitutions at positions that span a range of evolutionary conservation scores, these data are largely derived from assays that agglomerate multiple aspects of function. To facilitate predictions from the foundational chemical properties of proteins, large substitution databases with biochemical characterizations of function are needed. We report here a database derived from mutational, biochemical, bioinformatic, structural, pathological and computational studies of a highly studied protein family—pyruvate kinase (PYK). A centerpiece of this database is the biochemical characterization—including quantitative evaluation of allosteric regulation—of the changes that accompany substitutions at positions that sample the full conservation range observed in the PYK family. We have used these data to facilitate critical advances in the foundational studies of allosteric regulation and protein evolution and as rigorous benchmarks for testing protein predictions. We trust that the collected dataset will be useful for the broader scientific community in the further development of prediction algorithms.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of Juvenile Salmon Passage and Survival Through a Fish Weir and Other Routes at Foster Dam, Oregon, USA

Downstream passage for juvenile Chinook salmon (Oncorhynchus tshawytscha) and steelhead (O. mykiss) through the fish weir at Foster Dam, Oregon, was evaluated to assess the weir’s efficacy as a long-term passage solution. Radio telemetry was used to estimate survival, passage, and effectiveness for the fish weir, spillway, and turbines. Survival of Chinook salmon through the fish weir varied by season and reservoir elevation (66–87%), passage proportions were low (8–20%), and fish weir effectiveness was low to moderate (0.5–2.0). Steelhead survival was lower (57–77%) but passed the fish weir in higher proportions (77%) and weir effectiveness was consistently high (3.0–5.5). Our results indicate the existing fish weir will not be a suitable long-term passage solution for all species. However, because of the high passage proportions and effectiveness observed for steelhead, further development of the surface flow concept appears to be promising for safely passing downstream-migrating fishes.

Hughes, James S.↗

Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene

We report the results of a Versailles Project on Advanced Materials and Standards interlaboratory study on the intensity scale calibration of x-ray photoelectron spectrometers using low-density polyethylene (LDPE) as an alternative material to gold, silver, and copper. An improved set of LDPE reference spectra, corrected for different instrument geometries using a quartz-monochromated Al Kα x-ray source, was developed using data provided by participants in this study. Using these new reference spectra, a transmission function was calculated for each dataset that participants provided. When compared to a similar calibration procedure using the NPL reference spectra for gold, the LDPE intensity calibration method achieves an absolute offset of ~3.0% and a systematic deviation of ±6.5% on average across all participants. For spectra recorded at high pass energies (≥90 eV), values of absolute offset and systematic deviation are ~5.8% and ±5.7%, respectively, whereas for spectra collected at lower pass energies (<90 eV), values of absolute offset and systematic deviation are ~4.9% and ±8.8%, respectively; low pass energy spectra perform worse than the global average, in terms of systematic deviations, due to diminished count rates and signal-to-noise ratio. Differences in absolute offset are attributed to the surface roughness of the LDPE induced by sample preparation. We further assess the usability of LDPE as a secondary reference material and comment on its performance in the presence of issues such as variable dark noise, x-ray warm up times, inaccuracy at low count rates, and underlying spectrometer problems. In response to participant feedback and the results of the study, we provide an updated LDPE intensity calibration protocol to address the issues highlighted in the interlaboratory study. Finally, we also comment on the lack of implementation of a consistent and traceable intensity calibration method across the community of x-ray photoelectron spectroscopy (XPS) users and, therefore, propose a route to achieving this with the assistance of instrument manufacturers, metrology laboratories, and experts leading to an international standard for XPS intensity scale calibration.

36 MATERIALS SCIENCE↗

Hydrogen and Battery Storage Technologies for Low-Cost Energy Decarbonization in Distribution Networks

Deep energy decarbonization cannot be achieved without high penetration of renewables. At higher renewable energy penetrations, the variability and intermittent nature of solar photovoltaic (PV) electricity can cause ramping issues with existing fossil fuel generation, requiring longer term energy storage to increase the reliability of grid operation. Here, a proton exchange membrane electrolyzer can produce H 2 and serves as a utility controllable load. The produced H 2 can then be stored and converted back into electricity, or mixed with natural gas, or used as transportation fuel, or chemical feedstock. This paper considers the perspective of the distribution system operator that operates the distributed energy resources on a standard IEEE 33-node distribution network considering the technical and physical constraints with the goal of minimizing total investment and operation cost. Different case studies, at very high PV penetrations are considered to show the challenges and path to net-zero emission energy production using H 2 energy. Sensitivity of utility PV costs and electrolyzer capital costs on producing H 2 at $\$1$ /kg are presented showing that the distribution network could produce 100% renewable electricity and H 2 could be produced at a cost of $\$1$ /kg by 2050 with conservative cost estimates and by 2030 with accelerated cost declines.

25 ENERGY STORAGE↗