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DOE OSTI2024

All-sky Search for Transient Astrophysical Neutrino Emission with 10 Years of IceCube Cascade Events

Abstract Neutrino flares in the sky are searched for in data collected by IceCube between 2011 and 2021 May. This data set contains cascade-like events originating from charged-current electron neutrino and tau neutrino interactions and all-flavor neutral-current interactions. IceCube’s previous all-sky searches for neutrino flares used data sets consisting of track-like events originating from charged-current muon neutrino interactions. The cascade data set is statistically independent of the track data sets, and while inferior in angular resolution, the low-background nature makes it competitive and complementary to previous searches. No statistically significant flare of neutrino emission was observed in an all-sky scan. Upper limits are calculated on neutrino flares of varying duration from 1 hr to 100 days. Furthermore, constraints on the contribution of these flares to the diffuse astrophysical neutrino flux are presented, showing that multiple unresolved transient sources may contribute to the diffuse astrophysical neutrino flux.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Macro Analysis to Estimate Electric Vehicles Fast-Charging Infrastructure Requirements in Small Urban Areas

Electric vehicles (EVs) are known to reduce emissions and fossil fuel dependency. However, the limited range, long charging time, and inadequate charging infrastructure have hampered the adoption of EVs. The current EV charging infrastructure planning studies and tools require detailed information, extensive resources, and skills that can be a significant barrier to urban areas for finding the required charging infrastructure to support a targeted EV market share. This study generates regression models to estimate the number of direct current fast charging stations and the chargers to support the EV charging demand for urban areas. These models provide macro-level estimates of the required infrastructure investment in urban areas, which can be easily implemented by policy-makers and city planners. This study incorporates data obtained from applying a disaggregate optimization-based charger placement model, developed recently by the same authors, for multiple case studies to generate the required data to calibrate the macro-level models, in the state of Michigan. This simulated data set includes the number of charging stations and chargers for each market share, technology advancement scenario, and the transportation network topology. The results show that the number of charging stations reduces with battery size and charging power and increases with EV market share and the road network lane length. The number of chargers reduces with charging power, whereas it increases with battery size, EV market share, and vehicle miles traveled in the system. The model developed here can be applied to any state having urban characteristics and weather conditions similar to Michigan.

Engineering↗

DOE OSTI2021

RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D

We report the Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), funded by the US National Science Foundation, National Institutes of Health, and Department of Energy, has served structural biologists and Protein Data Bank (PDB) data consumers worldwide since 1999. RCSB PDB, a founding member of the Worldwide Protein Data Bank (wwPDB) partnership, is the US data center for the global PDB archive housing biomolecular structure data. RCSB PDB is also responsible for the security of PDB data, as the wwPDB-designated Archive Keeper. Annually, RCSB PDB serves tens of thousands of three-dimensional (3D) macromolecular structure data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) from all inhabited continents. RCSB PDB makes PDB data available from its research-focused RCSB.org web portal at no charge and without usage restrictions to millions of PDB data consumers working in every nation and territory worldwide. In addition, RCSB PDB operates an outreach and education PDB101.RCSB.org web portal that was used by more than 800,000 educators, students, and members of the public during calendar year 2020. This invited Tools Issue contribution describes (i) how the archive is growing and evolving as new experimental methods generate ever larger and more complex biomolecular structures; (ii) the importance of data standards and data remediation in effective management of the archive and facile integration with more than 50 external data resources; and (iii) new tools and features for 3D structure analysis and visualization made available during the past year via the RCSB.org web portal.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1976

Observations of Mercury's magnetic field

Magnetic-field observations made during the third encounter of Mariner 10 with Mercury are discussed along with implications of an intrinsic field for the planetary interior. The data obtained confirm the presence of characteristic bow-shock, magnetosheath, and magnetosphere regions surrounding the planet and also indicate that Mercury occupies a much larger portion of its magnetosphere than does earth. Combined plasma, charged-particle, and magnetic-field data establish that the origin of the field is intrinsic to the planet rather than associated with an induction process due to solar-wind flow. Spherical harmonic analysis of the field data shows that the internal field of the planet is well described by a centered dipole with a moment of 5.0 by 10 to the 22nd power gauss-cu cm and oriented within 12 deg of the normal to the orbital plane in the same sense as earth. Surface intensities are deduced to be between about 300 and 800 gammas. It is concluded that an active dynamo is a more likely candidate than fossil magnetization for the origin of the field.

Ness, N. F.↗

NASA NTRS1978

Phase change thermal storage for a solar total energy system

An analytical and experimental program is being conducted on a one-tenth scale model of a high-temperature (584 K) phase-change thermal energy storage system for installation in a solar total energy test facility at Albuquerque, New Mexico, U.S.A. The thermal storage medium is anhydrous sodium hydroxide with 8% sodium nitrate. The program will produce data on the dynamic response of the system to repeated cycles of charging and discharging simulating those of the test facility. Data will be correlated with a mathematical model which will then be used in the design of the full-scale system.

Rice, R. E.↗

NASA NTRS1990

An estimating formula for ion-atom association rates in gases

A simple estimating formula is derived for rate coefficients of three-body ion atom association in gases and compare its predictions to experimental data on ion association and three-body radiative charge transfer reactions of singly- and doubly-charged rare-gas ions. The formula appears to reproduce most experimental data quite well. It may be useful for estimating the rates of reactions that have not been studied in the laboratory.

Chatterjee, B. K.↗

NASA NTRS1997

Towards Inner Magnetosphere Particle and Field Models

We report on the initial stages of an effort to construct comprehensive empirical models of the plasma and fields in the inner magnetosphere. The models are based not only on archival data (e.g., SCATHA) but also on current spacecraft mission data (e.g., POLAR). In this component of the effort, we incorporate the recently archived data provided by the SCATRA (Spacecraft Charging AT High Altitude) satellite. The SCAT14A satellite was in a near-geostationary orbit and was in operation for more than a decade. In this paper, we focus on the SCATRA plasma and magnetic field data from approximately the first two years of operation. The time-series data are binned according to spatial location and geomagnetic activity. Examples of statistical, empirical models from this initial effort are presented; even the simply-constructed preliminary models reveal such subtle features as the previously reported warm (greater than 100 eV) plasma density enhancement near the magnetic equator.

Spence, H. E.↗

DOE OSTI2021

Charging and ion ejection dynamics of large helium nanodroplets exposed to intense femtosecond soft xray pulses

Ion ejection from charged helium nanodroplets exposed to intense femtosecond soft X-ray pulses is studied by single-pulse ion time-of-flight (TOF) spectroscopy in coincidence with small-angle X-ray scattering. Scattering images encode the droplet size and absolute photon flux incident on each droplet, while ion TOF spectra are used to determine the maximum ion kinetic energy, Ekin, of He+ j fragments (j = 1-4). Measurements span HeN droplet sizes between N similar to 10(7) and similar to 10(10) (radii R-0 = 78-578 nm), and droplet charges between similar to 9x10(-5) and similar to 3x10(-3) e/atom. Conditions encompass a wide range of ionization and expansion regimes, from departure of all photoelectrons from the droplet, leading to pure Coulomb explosion, to substantial electron trapping by the electrostatic potential of the charged droplet, indicating the onset of hydrodynamic expansion. The unique combination of absolute Xray intensities, droplet sizes, and ion Ekin on an event-by-event basis reveals a detailed picture of the correlations between the ionization conditions and the ejection dynamics of the ionic fragments. The maximum E-kin of He+ is found to be governed by Coulomb repulsion from unscreened cations across all expansion regimes. The impact of ion-atom interactions resulting from the relatively low charge densities is increasingly relevant with less electron trapping. The findings are consistent with the emergence of a charged spherical shell around a quasineutral plasma core as the degree of ionization increases. The results demonstrate a complex relationship between measured ion E-kin and droplet ionization conditions that can only be disentangled through the use of coincident single-pulse TOF and scattering data.

Helium↗

NASA NTRS1995

Adiabatic charging of nickel-hydrogen batteries

Battery management during prelaunch activities has always required special attention and careful planning. The transition from nickel-cadium to nickel-hydrogen batteries, with their high self discharge rate and lower charge efficiency, as well as longer prelaunch scenarios, has made this aspect of spacecraft battery management even more challenging. The AXAF-I Program requires high battery state of charge at launch. The use of active cooling, to ensure efficient charging, was considered and proved to be difficult and expensive. Alternative approaches were evaluated. Optimized charging, in the absence of cooling, appeared promising and was investigated. Initial testing was conducted to demonstrate the feasibility of the 'Adiabatic Charging' approach. Feasibility was demonstrated and additional testing performed to provide a quantitative, parametric data base. The assumption that the battery is in an adiabatic environment during prelaunch charging is a conservative approximation because the battery will transfer some heat to its surroundings by convective air cooling. The amount is small compared to the heat dissipated during battery overcharge. Because the battery has a large thermal mass, substantial overcharge can occur before the cells get too hot to charge efficiently. The testing presented here simulates a true adiabatic environment. Accordingly the data base may be slightly conservative. The adiabatic charge methodology used in this investigation begins with stabilizing the cell at a given starting temperature. The cell is then fully insulated on all sides. Battery temperature is carefully monitored and the charge terminated when the cell temperature reaches 85 F. Charging has been evaluated with starting temperatures from 55 to 75 F.

Lurie, Chuck↗

NASA NTRS2011

Atomic Data for Neutron-capture Elements I. Photoionization and Recombination Properties of Low-charge Selenium Ions

We present multi-configuration Breit-Pauli AUTOSTRUCTURE calculations of distorted-wave photoionization (PI) cross sections. and total and partial final-state resolved radiative recombination (RR) and dielectronic recombination (DR) rate coefficients for the first six ions of the trans-iron element Se. These calculations were motivated by the recent detection of Se emission lines in a large number of planetary nebulae. Se is a potentially useful tracer of neutron-capture nucleosynthesis. but accurate determinations of its abundance in photoionized nebulae have been hindered by the lack of atomic data governing its ionization balance. Our calculations were carried out in intermediate coupling with semi re1ativistic radial wavefunctions. PI and recombination data were determined for levels within the ground configuration of each ion, and experimental PI cross-section measurements were used to benchmark our results. For DR, we allowed (Delta)n = 0 core excitations, which are important at photoionized plasma temperatures. We find that DR is the dominant recombination process for each of these Se ions at temperatures representative of photoionized nebulae (approx.10(exp 4) K). In order to estimate the uncertainties of these data, we compared results from three different configuration-interaction expansions for each ion, and also tested the sensitivity of the results to the radial scaling factors in the structure calculations. We find that the internal uncertainties are typically 30-50% for the direct PI cross sections and approx.10% for the computed RR rate coefficients, while those for low-temperature DR can be considerably larger (from 15-30% up to two orders of magnitude) due to the unknown energies of near-threshold autoionization resonances. These data are available at the CDS, and fitting coefficients to the total RR and DR rate coefficients are presented. The results are suitable for incorporation into photoionization codes used to numerically simulate astrophysical nebulae, and will enable robust determinations of nebular Se abundances.

Sterling, N. C.↗

DOE OSTI2020

A Multidimensional Operando Study Showing the Importance of the Electrode Macrostructure in Lithium Sulfur Batteries

Lithium sulfur batteries are one of the most promising next-generation energy storage technologies, because of their impressive theoretical energy density, low materials cost, and relative safety. However, incomplete understanding of their underlying operation mechanisms has hindered their further development and commercialization. In this work, to gain a better understanding of the operation mechanisms in the lithium sulfur battery, three macroscopically different (woven and nonwoven) and microscopically similar (made from the same carbon fibers) free-standing carbon felts are used as the conductive matrices to show how the macrostructure influences the redox reactions and the electrochemical performance. Additionally, an operando radiography and simultaneous in situ electrochemical impedance spectroscopy study are performed to highlight the differences of the carbon hosts and how they compare electrochemically in a lithium sulfur battery. The electrochemical results show that the carbon host with a more open structure results in increased capacity as well as a higher diffusion coefficient. The operando radiography shows that the open structures are more conducive to efficient redox reactivity in forming solid sulfur species, mostly in the form of elongated needlelike structures identified as β-S8, near the end of charge, which is corroborated by the impedance data. The data also reveal a “breathing” mechanism, where the polysulfides are pushed to the edges during discharge and pulled back during charge. Furthermore, it is also revealed that the “breathing” process is a limiting factor in the high rate performance. Overall, this study shows that there is a close relationship between the macrostructure of the carbon matrix and the electrochemical performance of the sulfur cathode.

25 ENERGY STORAGE↗

DOE OSTI2025

Anisotropic electron damping and energy gap in Bi 2 ⁢Sr 2 ⁢CaCu 2 ⁢O 8+𝛿

The many-body electron-electron interaction in cuprates causes broadening of the electronic bands in 𝒌 space, leading to a deviation from the standard Fermi liquid. While a 𝒌-dependent anisotropic electronic scattering (𝒌-DAES) has been assessed by photoemission, its fingerprint in 𝑸 space has been scarcely considered. Here, we explore the 𝑸-dependent electron dynamics in optimally doped Bi 2⁢ Sr 2 ⁢CaCu 2 ⁢O 8+𝛿 through the evolution of low-energy charge excitations as measured by resonant inelastic x-ray scattering (RIXS). In the normal state, the RIXS spectra display a continuum of excitations down to 0 meV, while the superconducting state features a spectral weight suppression below 80 meV without any enhancement at higher energies. To interpret the energy and 𝑸 evolution of our data, we introduce a phenomenological expression of the charge susceptibility by including the 𝒌-DAES. We show that only the charge susceptibility with 𝒌-DAES captures the RIXS data, highlighting the importance of 𝒌-DAES when describing the 𝑸 dependence of charge excitations from 0 to a few eV scale. Furthermore, we also find that the inclusion of 𝒌-DAES is essential when quantitative parameters such as the electronic energy gap are extracted from RIXS data.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Single crystal growth, chemical defects, magnetic and transport properties of antiferromagnetic topological insulators ( Ge 1 – δ – x Mn x ) 2 Bi 2 Te 5 ( x ≤ 0.47 , 0.11 ≤ δ ≤ 0.20 )

Magnetic topological insulators provide a platform for emergent phenomena arising from the interplay between magnetism and band topology. Here we report the single crystal growth, crystal structure, magnetic and transport properties, as well as the neutron scattering studies of topological insulator series (Ge 1–δ–x Mn x ) 2 ⁢Bi 2 ⁢Te 5 (x ≤ 0.47, 0.11 ≤ δ ≤ 0.20). Upon doping up to x = 0.47, the lattice parameter c decreases by 0.8%, while the lattice parameter a remains nearly unchanged. Significant Ge vacancies and Ge/Bi site mixing are revealed via elemental analysis as well as refinements of the neutron and x-ray diffraction data, resulting in holes dominating the charge transport. At x = 0.47, below 10.8 K, a bilayer A-type antiferromagnetic ordered state emerges, featuring an ordered moment of 3.0(3) μ B /Mn at 5 K, with the c axis as the easy axis. Magnetization data unveils a much stronger effective interlayer antiferromagnetic exchange interaction and a much smaller uniaxial anisotropy compared to MnBi 2 ⁢Te 4 . We attribute the former to the shorter nearest-neighbor Mn-Mn interlayer superexchange path and the latter to the smaller ligand-field splitting in (Ge 1–δ–x ⁢Mn x ) 2 ⁢Bi 2 ⁢Te 5 . Finally, our study demonstrates that this series of materials holds promise for the investigation of the layer Hall effect and quantum metric nonlinear Hall effect.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Laboratory Data for X-Ray Astronomy

Laboratory facilities have made great strides in producing large sets of reliable data for X-ray astronomy, which include ionization and recombination cross sections needed for charge balance calculations as well as the atomic data needed for interpreting X-ray line formation. We discuss data from the new generation sources and pay special attention to the LLNL electron beam ion trap experiment, which is unique in its ability to provide direct laboratory access to spectral data under precisely controlled conditions that simulate those found in many astrophysical plasmas. Examples of spectral data obtained in the 1-160 A wavelength range are given illustrating the type of laboratory X-ray data produced in support of such missions as Chandra, X-Ray Multi-Mirror telescope (XMM), Advanced Satellite for Cosmology and Astrophysics (ASCA) and Extreme Ultraviolet Explorer Satellite (EUVE).

Beiersdorfer, P.↗

NASA NTRS1983

Charged particle distributions in Jupiter's magnetosphere

In situ data from the Pioneer and Voyager spacecraft, supplemented by earth-based observations and theoretical considerations, are used as the basis for the present quantitative, compact model of the 1 eV-several MeV charged particle distribution in the Jovian magnetosphere. The thermal plasma parameters of convection speed, number density, and characteristic energy, are specified as functions of position for electrons and for the ion species H(+), O(+), O(2+), S(+), S(2+), S(3+), and Na(+). Major features of the magnetic field, thermal plasma, and trapped particle distributions, are modeled and results for each plasma region are compared with observed spectra. Comparisons show that the model represents the data to within a factor of 2 + or - 1, except where time variations are significant. Practical applications of the model to spacecraft near Jupiter are given.

Divine, N.↗

NASA NTRS2015

Jovian plasma modeling for mission design

The purpose of this report is to address uncertainties in the plasma models at Jupiter responsible for surface charging and to update the jovian plasma models using the most recent data available. The updated plasma environment models were then used to evaluate two proposed Europa mission designs for spacecraft charging effects using the Nascap-2k code. The original Divine/Garrett jovian plasma model (or "DG1", T. N. Divine and H. B. Garrett, "Charged particle distributions in Jupiter's magnetosphere," J. Geophys. Res., vol. 88, pp. 6889-6903,1983) has not been updated in 30 years, and there are known errors in the model. As an example, the cold ion plasma temperatures between approx.5 and 10 Jupiter radii (Rj) were found by the experimenters who originally published the data to have been underestimated by approx.2 shortly after publication of the original DG1 model. As knowledge of the plasma environment is critical to any evaluation of the surface charging at Jupiter, the original DG1 model needed to be updated to correct for this and other changes in our interpretation of the data so that charging levels could beproperly estimated using the Nascap-2k charging code. As an additional task, the Nascap-2k spacecraft charging tool has been adapted to incorporate the so-called Kappa plasma distribution function--an important component of the plasma model necessary to compute the particle fluxes between approx.5 keV and 100 keV (at the outset of this study,Nascap-2k did not directly incorporate this common representation of the plasma thus limiting the accuracy of our charging estimates). The updating of the DG1 model and its integration into the Nascap-2k design tool means that charging concerns can now be more efficiently evaluated and mitigated. (We note that, given the subsequent decision by the Europa project to utilize solar arrays for its baseline design, surface charging effects have becomeeven more of an issue for its mission design). The modifications and results of those modifications to the DG1 model to produce the new DG2 model presented here and the steps taken to integrate the DG2 predictions into Nascap-2k are described in this report.

Voyager 2↗

NASA NTRS2015

Jovian Plasma Modeling for Mission Design

Garrett, Henry B.↗

DOE OSTI2022

Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), funded by the United States National Science Foundation, National Institutes of Health, and Department of Energy, supports structural biologists and Protein Data Bank (PDB) data users around the world. The RCSB PDB, a founding member of the Worldwide Protein Data Bank (wwPDB) partnership, serves as the US data center for the global PDB archive housing experimentally-determined three-dimensional (3D) structure data for biological macromolecules. As the wwPDB-designated Archive Keeper, RCSB PDB is also responsible for the security of PDB data and weekly update of the archive. RCSB PDB serves tens of thousands of data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) annually working on all permanently inhabited continents. RCSB PDB makes PDB data available from its research-focused web portal at no charge and without usage restrictions to many millions of PDB data consumers around the globe. It also provides educators, students, and the general public with an introduction to the PDB and related training materials through its outreach and education-focused web portal. This review article describes growth of the PDB, examines evolution of experimental methods for structure determination viewed through the lens of the PDB archive, and provides a detailed accounting of PDB archival holdings and their utilization by researchers, educators, and students worldwide.

59 BASIC BIOLOGICAL SCIENCES↗