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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 379 records · Page 21

A comprehensive line spread function error for the Off-plane Grating Rocket Experiment

The Off-plane Grating Rocket Experiment (OGRE) is a soft X-ray grating spectrometer to be flown on a suborbital rocket. The payload is designed to obtain the highest-resolution soft X-ray spectrum of Capella to date with a resolution goal of R(lambda/delta lambda) > 2000 at select wavelengths in its 10 - 55 A bandpass of interest. The optical design of the spectrometer realizes a maximum resolution of R 5000 with all components performing optimally, in perfect alignment, and not considering in-flight pointing errors; however, performance errors, misalignments, and in-flight pointing errors work to degrade this performance. A comprehensive line spread function (LSF) error budget has been constructed for the spectrometer to identify errors contributing to the LSF, to determine how each affects the LSF, and to inform performance requirements and alignment tolerances for the spectrometer. In this document, the comprehensive LSF error budget for the OGRE spectrometer is presented and its implications are discussed.

Benjamin D Donovan↗

X‐ray scattering reveals disordered linkers and dynamic interfaces in complexes and mechanisms for DNA double‐strand break repair impacting cell and cancer biology

Abstract Evolutionary selection ensures specificity and efficiency in dynamic metastable macromolecular machines that repair DNA damage without releasing toxic and mutagenic intermediates. Here we examine non‐homologous end joining (NHEJ) as the primary conserved DNA double‐strand break (DSB) repair process in human cells. NHEJ has exemplary key roles in networks determining the development, outcome of cancer treatments by DSB‐inducing agents, generation of antibody and T‐cell receptor diversity, and innate immune response for RNA viruses. We determine mechanistic insights into NHEJ structural biochemistry focusing upon advanced small angle X‐ray scattering (SAXS) results combined with X‐ray crystallography (MX) and cryo‐electron microscopy (cryo‐EM). SAXS coupled to atomic structures enables integrated structural biology for objective quantitative assessment of conformational ensembles and assemblies in solution, intra‐molecular distances, structural similarity, functional disorder, conformational switching, and flexibility. Importantly, NHEJ complexes in solution undergo larger allosteric transitions than seen in their cryo‐EM or MX structures. In the long‐range synaptic complex, X‐ray repair cross‐complementing 4 (XRCC4) plus XRCC4‐like‐factor (XLF) form a flexible bridge and linchpin for DNA ends bound to KU heterodimer (Ku70/80) and DNA‐PKcs (DNA‐dependent protein kinase catalytic subunit). Upon binding two DNA ends, auto‐phosphorylation opens DNA‐PKcs dimer licensing NHEJ via concerted conformational transformations of XLF‐XRCC4, XLF–Ku80, and LigIV BRCT –Ku70 interfaces. Integrated structures reveal multifunctional roles for disordered linkers and modular dynamic interfaces promoting DSB end processing and alignment into the short‐range complex for ligation by LigIV. Integrated findings define dynamic assemblies fundamental to designing separation‐of‐function mutants and allosteric inhibitors targeting conformational transitions in multifunctional complexes.

59 BASIC BIOLOGICAL SCIENCES↗

Polaritonic Probe of an Emergent 2D Dipole Interface

The use of work-function-mediated charge transfer has recently emerged as a reliable route toward nanoscale electrostatic control of individual atomic layers. Using α-RuCl 3 as a 2D electron acceptor, we are able to induce emergent nano-optical behavior in hexagonal boron nitride (hBN) that arises due to interlayer charge polarization. Using scattering-type scanning near-field optical microscopy (s-SNOM), we find that a thin layer of α-RuCl 3 adjacent to an hBN slab reduces the propagation length of hBN phonon polaritons (PhPs) in significant excess of what can be attributed to intrinsic optical losses. Concomitant nano-optical spectroscopy experiments reveal a novel resonance that aligns energetically with the region of excess PhP losses. These experimental observations are elucidated by first-principles density-functional theory and near-field model calculations, which show that the formation of a large interfacial dipole suppresses out-of-plane PhP propagation. Finally, our results demonstrate the potential utility of charge-transfer heterostructures for tailoring optoelectronic properties of 2D insulators.

36 MATERIALS SCIENCE↗

Weak Form Scientific Machine Learning: Test Function Construction for System Identification

Weak form Scientific Machine Learning (WSciML) is a recently developed framework for data-driven modeling and scientific discovery. It leverages the weak form of equation error residuals to provide enhanced noise robustness in system identification via convolving model equations with test functions, reformulating the problem to avoid direct differentiation of data. The performance, however, relies on wisely choosing a set of compactly supported test functions. In this work, we mathematically motivate a novel data-driven method for constructing Single-scale-Local reference functions for creating the set of test functions. Our approach numerically approximates the integration error introduced by the quadrature and identifies the support size for which the error is minimal, without requiring access to the model parameter values. Through numerical experiments across various models, noise levels, and temporal resolutions, we demonstrate that the selected supports consistently align with regions of minimal parameter estimation error. We also compare the proposed method against the strategy for constructing Multi-scale-Global (and orthogonal) test functions introduced in our prior work, demonstrating the improved computational efficiency.

FOS: Computer and information sciences↗

Dark Energy Survey Year 3 results: Exploiting small-scale information with lensing shear ratios

Using the first three years of data from the Dark Energy Survey (DES), we use ratios of small-scale galaxy-galaxy lensing measurements around the same lens sample to constrain source redshift uncertainties, intrinsic alignments and other systematics or nuisance parameters of our model. Instead of using a simple geometric approach for the ratios as has been done in the past, we use the full modeling of the galaxy-galaxy lensing measurements, including the corresponding integration over the power spectrum and the contributions from intrinsic alignments and lens magnification. We perform extensive testing of the small-scale shear-ratio (SR) modeling by studying the impact of different effects such as the inclusion of baryonic physics, nonlinear biasing, halo occupation distribution descriptions and lens magnification, among others, and using realistic N -body simulations of the DES data. We validate the robustness of our constraints in the data by using two independent lens samples with different galaxy properties, and by deriving constraints using the corresponding large-scale ratios for which the modeling is simpler. The results applied to the DES Y3 data demonstrate how the ratios provide significant improvements in constraining power for several nuisance parameters in our model, especially on source redshift calibration and intrinsic alignments. For source redshifts, SR improves the constraints from the prior by up to 38% in some redshift bins. Such improvements, and especially the constraints it provides on intrinsic alignments, translate to tighter cosmological constraints when shear ratios are combined with cosmic shear and other 2pt functions. In particular, for the DES Y3 data, SR improves S 8 constraints from cosmic shear by up to 31%, and for the full combination of probes ( 3 × 2 pt ) by up to 10%. The shear ratios presented in this work are used as an additional likelihood for cosmic shear, 2 × 2 pt and the full 3 × 2 pt in the fiducial DES Y3 cosmological analysis.

79 ASTRONOMY AND ASTROPHYSICS↗

Optical retroreflector

Planar target material reflects incident optical energy back to source, such that retroreflected light intensity is function of angle of incidence only. Retroreflective pattern can be tailored to suit specific requirements such as alignment of distant surface normal to beam of laser light.

Weindling, F.↗

Investigating On-Orbit Attitude Determination Anomalies for the Solar Dynamics Observatory Mission

The Solar Dynamics Observatory (SDO) was launched on February 11, 2010 from Kennedy Space Center on an Atlas V launch vehicle into a geosynchronous transfer orbit. SDO carries a suite of three scientific instruments, whose observations are intended to promote a more complete understanding of the Sun and its effects on the Earth's environment. After a successful launch, separation, and initial Sun acquisition, the launch and flight operations teams dove into a commissioning campaign that included, among other things, checkout and calibration of the fine attitude sensors and checkout of the Kalman filter (KF) and the spacecraft s inertial pointing and science control modes. In addition, initial calibration of the science instruments was also accomplished. During that process of KF and controller checkout, several interesting observations were noticed and investigated. The SDO fine attitude sensors consist of one Adcole Digital Sun Sensor (DSS), two Galileo Avionica (GA) quaternion-output Star Trackers (STs), and three Kearfott Two-Axis Rate Assemblies (hereafter called inertial reference units, or IRUs). Initial checkout of the fine attitude sensors indicated that all sensors appeared to be functioning properly. Initial calibration maneuvers were planned and executed to update scale factors, drift rate biases, and alignments of the IRUs. After updating the IRU parameters, the KF was initialized and quickly reached convergence. Over the next few hours, it became apparent that there was an oscillation in the sensor residuals and the KF estimation of the IRU bias. A concentrated investigation ensued to determine the cause of the oscillations, their effect on mission requirements, and how to mitigate them. The ensuing analysis determined that the oscillations seen were, in fact, due to an oscillation in the IRU biases. The low frequencies of the oscillations passed through the KF, were well within the controller bandwidth, and therefore the spacecraft was actually following the oscillating biases, resulting in movement of the spacecraft on the order of plus or minus 20 arcsec. Though this level of error met the ACS attitude knowledge requirement of [35, 70, 70] arcsec, 3 sigma, the desire of the ACS and instrument teams was to remove as much of the oscillation as possible. The Kearfott IRUs have an internal temperature controller, designed to maintain the IRU temperature at a constant temperature of approximately 70 C, thus minimizing the change in the bias drift and scale factors of the mechanical gyros. During ground testing of the observatory, it was discovered that the 83-Hz control cycle of the IRU heaters put a tremendous amount of stress on the spacecraft battery. Analysis by the power systems team indicated that the constant charge/discharge on the battery due to the IRU thermal control cycle could potentially limit the life of the battery. After much analysis, the decision was made not to run the internal IRU heaters. Analysis of on orbit data revealed that the oscillations in the IRU bias had a connection to the temperature of the IRU; changes in IRU temperature resulted in changes in the amplitude and period of the IRU biases. Several mitigating solutions were investigated, the result of which was to tune the KF with larger IRU noise assumptions which allows the KF to follow and correct for the time-varying IRU biases.

Vess, Melissa F.↗

Planned Investigations to Address Acute Central Nervous System Effects of Space Radiation Exposure with Human Performance Data

This work intends to generate evidence of acute, incremental human performance decrement similar to that due to space radiation andits impacts on the brain, to accompany ongoing human performance modeling work. The planned work will explore the boundaries of human behavioral and performance decrement after exposure to stress, which may be expected based in part on rodent responses found afterexposure to ionizing radiation. The collection of evidence via simulation studies can characterize real human errors toward determining what stress levels lead to significantly-low levels of performance (below permissible outcome limits) which would imperilmission accomplishment. If mission-relevant animal-study-linked tasks are used, human and animal performance levels may be aligned to enable quantitative assignment of permissible exposure limits based on animal exposure studies. Ultimately, a transfer function between the performances of exposed rodents and humans under stress can be developed using shared impairment mechanisms.

human performance↗

Planned Investigations to Address Acute Central Nervous System Effects of Space Radiation Exposure with Human Performance Data

This work intends to generate evidence of acute, incremental human performance decrement similar to that due to space radiation and its impacts on the brain, to accompany ongoing human performance modeling work. The planned work will explore the boundaries of human behavioral and performance decrement after expo-sure to stress, which may be expected based in part on rodent responses found after exposure to ionizing radiation. The collection of evidence via simulation studies can characterize real human errors toward determining what stress levels lead to significantly-low levels of performance (below permissible outcome limits) which would imperil mission accomplishment. If mission-relevant yet animal-study-linked tasks are used, human and animal performance levels may be aligned to enable quantitative assignment of permissible exposure limits based on animal exposure studies. Ultimately, a transfer function between the performances of exposed rodents and humans under stress can be developed using shared impairment mechanisms.

human performance↗

Structural models and functional annotations for the Sphagnum divinum proteome

This dataset contains the structural models for the primary transcripts of the Sphagnum divinum proteome. Additionally, for a subset of these proteins, sequence and structural alignment results are provided. This dataset represents the most thorough structural study of a Sphagnum species, also known as peat mosses, by providing three-dimensional atomic resolution structures of the majority of the encoded proteins as well as structural alignment results used in the application of annotating the proteome. References (DOI) AlphaFold v2 Monomer: https://doi.org/10.1038/s41586-021-03819-2. References (DOI) US-align2: https://doi.org/10.1038/s41592-022-01585-1

59 BASIC BIOLOGICAL SCIENCES↗

Independence of the spin current from the Néel vector orientation in antiferromagnet CoO

Spin pumping from ferromagnetic Fe into antiferromagnetic CoO across a Ag spacer layer was studied using ferromagnetic resonance (FMR) in Py/CoO/Ag/Fe/Ag(001). The thin Py film on top of CoO permits an alignment of the CoO Neél vector through field cooling in two otherwise equivalent [110] and [110] crystalline axes which are parallel and perpendicular to the Fe magnetization direction, respectively. Fe FMR linewidth is measured as a function of Ag thickness in 10-20-GHz frequency range and in 180-330 K temperature range. Furthermore, we find that there exists an anisotropy in the Fe FMR damping for parallel and perpendicular alignment of the Fe and CoO spins. However, such anisotropic damping exists only at thin Ag thickness where there exists a magnetic interlayer coupling between Fe and CoO, and vanishes at thick Ag thickness where the interlayer coupling becomes negligible but permitting spin-current transmission into CoO. Our result indicates the absence of anisotropic spin current for parallel and perpendicular alignment of the Fe and CoO spin axes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Optimal intrinsic alignment estimators in the presence of redshift-space distortions

We present estimators for quantifying intrinsic alignments in large spectroscopic surveys that efficiently capture line-of-sight (LOS) information while being relatively insensitive to redshift-space distortions (RSD). We demonstrate that changing the LOS integration range, pimax, as a function of transverse separation outperforms the conventional choice of a single pimax value. This is further improved by replacing the flat pimax cut with a LOS weighting based on shape projection and RSD. Although these estimators incorporate additional LOS information, they are projected correlations that exhibit signal-to-noise ratios comparable to 3D correlation functions, such as the IA quadrupole. Using simulations from Abacus Summit, we evaluate these estimators and provide recommended pimax values and weights for projected separations of 1 - 100 Mpc/h. These will improve measurements of intrinsic alignments in large cosmological surveys and the constraints they provide for both weak lensing and direct cosmological applications.

cosmology↗

Band alignments and polarization properties of the Zn-IV-nitrides

Zn-IV-nitrides have a range of potential applications in electronic and optoelectronic devices and can be integrated with currently used III-nitride semiconductors and their alloys. Using hybrid density functional theory, we examine band gaps, band offsets, and polarization properties of the Zn-IV-nitrides and the ramifications of these properties on heterointerfaces formed between the Zn-IV-nitrides and III-nitrides. Here, we find a type-II band alignment between ZnGeN 2 and GaN, where the valence band of GaN is 0.28 eV above the valence band of ZnGeN 2 . Heterostructures between Zn-IV-nitrides and III-nitrides result in interface charges that allow for novel heterostructures and increased control over polarization fields. We find that an interface between In x Ga 1-x N and ZnGeN 2 can lead to zero interfacial polarization charge; however, the band alignments are unfavorable for carrier confinement in light-emitting devices. At the interface between AlN and ZnSiN 2 , we predict a large two-dimensional electron gas to form, confined to the ZnSiN 2 layer.

36 MATERIALS SCIENCE↗

Size and Structure of the Sequence Space of Repeat Proteins

The coding space of protein sequences is shaped by evolutionary constraints set by requirements of function and stability. We show that the coding space of a given protein family— the total number of sequences in that family—can be estimated using models of maximum entropy trained on multiple sequence alignments of naturally occurring amino acid sequences. We analyzed and calculated the size of three abundant repeat proteins families, whose members are large proteins made of many repetitions of conserved portions of *30 amino acids. While amino acid conservation at each position of the alignment explains most of the reduction of diversity relative to completely random sequences, we found that correlations between amino acid usage at different positions significantly impact that diversity. We quantified the impact of different types of correlations, functional and evolutionary, on sequence diversity. Analysis of the detailed structure of the coding space of the families revealed a rugged landscape, with many local energy minima of varying sizes with a hierarchical structure, reminiscent of frustrated energy landscapes of spin glass in physics. This clustered structure indicates a multiplicity of subtypes within each family and suggests new strategies for protein design.

Jacopo Marchi↗

The relative influences of hydrologic information and dams’ hydropower scheduling decisions on electricity price forecasts

Price dynamics in wholesale electricity markets are driven by supply and demand. In markets with hydroelectric dams, the timing and amount of hydropower offered can influence prices in similar ways to wind and solar power. Unlike variable renewable energy, however, the supply of hydropower in wholesale markets is a function of both water availability and operational decisions at dams. Dam operators maximize revenues in wholesale markets by aligning generation with the periods of highest expected prices, and these scheduling decisions may in turn influence prices. Here, we examine the relative importance of two types of information in predicting forward electricity prices: a) water availability at dams, in the form of short-to-medium-range hydrological forecasts; and b) hourly scheduling decisions at dams. Using softly coupled hydrologic, hydropower scheduling, and power systems models spanning the U.S. Western Interconnection, we quantify the importance of hydrologic forecast accuracy in correctly predicting wholesale electricity prices and compare this with the influence of dam operators’ own hourly scheduling decisions on realized market prices. We find that aligning hydropower generation schedules with the periods of high forecasted prices causes larger, inadvertent price forecast errors than imperfect hydrologic forecasts. This suggests that knowledge of how water is managed by dam operators within the week is more important than weekly inflow forecast errors when predicting forward electricity prices. Our findings have implications for optimal hydropower scheduling by region. Specifically, accounting for price effects is critical in markets dominated by hydropower capacity.

Electricity markets↗

Quasielastic $\overrightarrow{^{3}He}$ $(\overrightarrow{e},e′)$ asymmetry in the threshold region with a longitudinally polarized target

We report on the measurements of the double-spin asymmetry from electron- 3 He scattering in the threshold region of two- and three-body breakup of 3 He for 4-momentum transfer values of 0.1 and 0.2 (GeV/c) 2 . The measurement was done at Jefferson Lab using a polarized 3 He target with its spin aligned parallel to the beam direction. This asymmetry is sensitive to a combination of spin-dependent response functions not previously measured and may highlight differences in two body forces, meson-exchange currents and final-state interactions. The results of this measurement serve as a test of our understanding of few-body systems. When compared with calculations from plane wave impulse approximation and Faddeev calculations, we found that the latter, which use modern nuclear potentials and prescriptions for meson-exchange currents, demonstrate an overall good agreement with data.

Few-body nuclei↗

Influence of globally spin-aligned vector mesons to the measurements of the chiral magnetic effect in heavy-ion collisions

The chiral magnetic effect (CME) in high-energy heavy-ion collisions arises from the interplay between the chirality imbalance and the intense magnetic field and will cause a charge separation along the magnetic field direction. While the CME search is still ongoing in experiments, the non-CME contributions need to be excluded from the CME observables. In this work, we examine the influence of globally spin-aligned ρ mesons on the γ 112 correlator, the R Ψ 2 (ΔS) correlator, and the signed balance functions, via a toy model and a multiphase transport model (AMPT). We find that the CME observables are sensitive to the 00-component of the spin density matrix, ρ 00 : they receive positive (negative) contributions when ρ 00 is larger (smaller) than 1/3.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗