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At least 595 records · Page 33

Cryo-EM structures of engineered active bc 1- cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes

Respiratory electron transport complexes are organized as individual entities or combined as large supercomplexes (SC). Gram-negative bacteria deploy a mitochondrial-like cytochrome (cyt) bc 1 (Complex III, CIII 2 ), and may have specific cbb 3 -type cyt c oxidases (Complex IV, CIV) instead of the canonical aa 3 -type CIV. Electron transfer between these complexes is mediated by soluble ( c 2 ) and membrane-anchored ( c y ) cyts. Here, we report the structure of an engineered bc 1 - cbb 3 type SC (CIII 2 CIV, 5.2Å resolution) and three conformers of native CIII 2 (3.3 Å resolution). The SC is active in vivo and in vitro, contains all catalytic subunits and cofactors, and two extra transmembrane helices attributed to cyt c y and the assembly factor CcoH. The cyt c y is integral to SC, its cyt domain is mobile and it conveys electrons to CIV differently than cyt c 2 . The successful production of a native-like functional SC and determination of its structure illustrate the characteristics of membrane-confined and membrane-external respiratory electron transport pathways in Gram-negative bacteria.

42 ENGINEERING↗

Simulation study of high-current 7 Li 3+ beam acceleration with laser ion source and RFQ linac using direct plasma injection

Accelerator-based neutron sources (ABNS) utilizing the 7 Li(p,n) 7 Be reaction in inverse kinematics offer strong forward-directed neutron emission, making them attractive for compact and clean neutron source with low background neutrons and unwanted radiation. However, practical use of such systems requires lithium ion beam currents that exceed the capability of conventional ion accelerators by two orders of magnitude. In this study, we numerically designed and evaluated a high-current acceleration system based on a direct plasma injection scheme (DPIS), combining a laser ion source (LIS) and a radio-frequency quadrupole (RFQ) linac. The ion extraction optics and RFQ entrance were optimized using IGUN, OPERA, and GPT, demonstrating that over 1.2 A-class beam current can be injected into the RFQ. The RFQ structure was designed under realistic engineering constraints including surface field strength (Kilpatrick factor) and RF power. GPT simulations showed that a 370 mA 7 Li 3+ beam can be successfully accelerated within a ±10 % energy spread. To validate downstream compatibility, we also designed a simplified medium-energy beam transport (MEBT) section and an interdigital H-type (IH) linac, confirming successful acceleration of a 320 mA beam to the total energy of 14 MeV. These results support the feasibility of the DPIS and RFQ approach as a promising solution for compact neutron sources and other high-intensity ion beam applications.

43 PARTICLE ACCELERATORS↗

Electronic, magnetic, and structural properties of V2CoAl: Experimental and computational study

Here, we present results of combined experimental and computations study of V2CoAl, a Heusler alloy that exhibits nearly perfect spin-polarization. Our calculations indicate that this material maintains a high degree of spin-polarization (over 90%) in the wide range of lattice parameters, except at the largest considered unit cell volume. The magnetic alignment of V2CoAl is ferrimagnetic, due to the antialignment of the magnetic moments of vanadium atoms in their two sublattices. The calculated total magnetic moment per formula unit is nearly integer at the optimal lattice parameter and at the smaller volumes of the unit cell, but it deviated from the integer values as the unit cell expands. This is consistent with the calculated variation in the degree of spin polarization with lattice constant. The expected ferrimagnetic behavior has been observed in the arc-melted V2CoAl sample, with a Curie temperature of about 80 K. However, the saturation magnetization is significantly smaller than the theoretical prediction of ∼2 μB/f.u., most likely due to the observed B2-type atomic disorder. The samples exhibit metallic electron transport across the measurement range of 2 K to 300 K.

Kharel, Parashu (ORCID:0000000171330718)↗

Giant momentum-dependent spin splitting in centrosymmetric low-$\textit{Z}$ antiferromagnets

The energy vs crystal momentum $\textit{E(k)}$ diagram for a solid (band structure) constitutes the road map for navigating its optical, magnetic, and transport properties. By selecting crystals with specific atom types, composition, and symmetries, one could design a target band structure and thus desired properties. A particularly attractive outcome would be to design energy bands that are split into spin components with a momentum-dependent splitting, as envisioned by Pekar and Rashba, enabling spintronic application. The current paper provides “design principles” for wave-vector dependent spin splitting (SS) of energy bands that parallel the traditional Dresselhaus and Rashba spin-orbit coupling (SOC)–induced splitting, but originates from a fundamentally different source—antiferromagnetism. Here, we identify a few generic antiferromagnetic (AFM) prototypes with distinct SS patterns using magnetic symmetry design principles. These tools allow also the identification of specific AFM compounds with SS belonging to different prototypes. A specific compound—centrosymmetric tetragonal MnF 2 —is used via density functional band-structure calculations to quantitatively illustrate one type of AFM SS. Unlike the traditional SOC-induced effects restricted to noncentrosymmetric crystals, we show that antiferromagnetic-induced spin splitting broadens the playing field to include even centrosymmetric compounds, and gives SS comparable in magnitude to the best known (“giant’” SOC effects, even without traditional SOC, and consequently does not rely on the often-unstable high atomic number elements required for high SOC. We envision that use of the current design principles to identify an optimal antiferromagnet with spin-split energy bands would be beneficial for efficient spin-charge conversion and spin-orbit torque applications without the burden of requiring compounds containing heavy elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Temperature dependence of band shifts induced by impurity ionization in ZrTe 5

We report the topological phase transition in ZrTe 5 remains a challenge for its sensitivity to the structural parameters and carrier densities. One important issue is that the temperature dependence of the band shifts has been reported controversially. Using angle-resolved photoemission spectroscopy, we study the temperature evolution of the band structures of ZrTe 5 with samples prepared by chemical vapor transport and flux methods. We find two distinct types of band shift with temperature, one monotonically moving downward to high binding energies with the increase of temperature and another one moving downward first and then reversely upward. By assuming ZrTe 5 is a semiconductor with a limited amount of impurities, we analyze the temperature-induced ionization of the impurities and chemical potential shift to interpret the discrepant experimental observations. In this scenario, the discrepancies in band structures and the controversial results on temperature-dependent band shifts can be reconciled in a unified picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 3

This chapter summarizes safety functions and features, events, and processes; conceptual models which apply to all DUs; property data packages; and modeling tools developed and implemented in this PA to analyze ELLWF performance. Conceptual models of GW flow and transport in the VZ, which are specific to type of DU, are presented in Chapter 4.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Demand-Side Grid (dsgrid) TEMPO Light-Duty Vehicle Charging Profiles v2022

Simulated hourly electric vehicle charging profiles for light-duty household passenger vehicles in the contiguous United States, 2018-2050. Profiles are differentiated by scenario, county, household and vehicle types, and charging type. Data was produced in 2022 using the Transportation Energy & Mobility Pathway Options (TEMPO) model and published in demand-side grid (dsgrid) toolkit format. Data are available for three adoption scenarios: "AEO Reference Case", which is aligned with the U.S. EIA Annual Energy Outlook 2018 (linked below), "EFS High Electrification", which is aligned with the High Electrification scenario of the Electrification Futures Study (linked below), and "All EV Sales by 2035", which assumes that average passenger light-duty EV sales reach 50% in 2030 and 100% in 2035. The charging shapes are derived from two key assumptions of which data users should be aware: "ubiquitous charger access", meaning that drivers of vehicles are assumed to have access to a charger whenever a trip is not in progress, and "immediate charging", meaning that immediately after trip completion, vehicles are plugged in and charge until they are either fully recharged or taken on another trip. These assumptions result in a bounding case in which vehicles' state of charge is maximized at all times. This bounding case would minimize range anxiety, but is unrealistic from the point of view of both electric vehicle service equipment (EVSE) (i.e., charger) access, and plug-in behavior as it can result in dozens of charging sessions per week for battery electric vehicles (BEVs) that in reality are often only plugged in a few times per week.

Array↗

Study of an intraurban travel demand model incorporating commuter preference variables

The model is based on the substantial travel data base for the nine-county San Francisco Bay Area, provided by the Metropolitan Transportation Commission. The model is of the abstract type, and makes use of commuter attitudes towards modes and simple demographic characteristics of zones in a region to predict interzonal travel by mode for the region. A characterization of the STOL/VTOL mode was extrapolated by means of a subjective comparison of its expected characteristics with those of modes characterized by the survey. Predictions of STOL demand were made for the Bay Area and an aircraft network was developed to serve this demand. When this aircraft system is compared to the base case system, the demand for STOL service has increased five fold and the resulting economics show considerable benefit from the increased scale of operations. In the previous study all systems required subsidy in varying amounts. The new system shows a substantial profit at an average fare of $3.55 per trip.

Holligan, P. E.↗

Xenoliths in maars and diatremes with inferences for the moon, Mars, and Venus.

Some field observations of the occurrence of deep-seated rock fragments in three terrestrial volcanic features that may have counterparts on the moon or Mars are reviewed, and results of numerical hydrodynamic calculations of the eruption of these types of volcanoes are presented. In particular, the transport of entrained fragmental debris is investigated for the surface (muzzle) velocity of fragments that it yields as a function of fragment size and various values of surface gravity. The implications of these observations and inferences for possible future space missions are examined.

Mcgetchin, T. R.↗

Advanced supersonic propulsion study, phase 2

A continuation of the NASA/P and WA study to evaluate various types of propulsion systems for advanced commercial supersonic transports has resulted in the identification of two very promising engine concepts. They are the Variable Stream Control Engine which provides independent temperature and velocity control for two coannular exhaust streams, and a derivative of this engine, a Variable Cycle Engine that employs a rear flow-inverter valve to vary the bypass ratio of the cycle. Both concepts are based on advanced engine technology and have the potential for significant improvements in jet noise, exhaust emissions and economic characteristics relative to current technology supersonic engines. Extensive research and technology programs are required in several critical areas that are unique to these supersonic Variable Cycle Engines to realize these potential improvements. Parametric cycle and integration studies of conventional and Variable Cycle Engines are reviewed, features of the two most promising engine concepts are described, and critical technology requirements and required programs are summarized.

Howlett, R. A.↗

An effective and practical fire-protection system

A high-performance sandwich-type fire protection system comprising a steel outer sheath and insulation combined in various configurations is described. An inherent advantage of the sheath system over coatings is that it eliminates problems of weatherability, materials strength, adhesion, and chemical attack. An experimental comparison between the protection performance of state-of-the-art coatings and the sheath system is presented, with emphasis on the protection of certain types of steel tanks for fuel storage and transport. Sheath systems are thought to be more expensive than coatings in initial implementation, although they are less expensive per year for sufficiently long applications.

Mansfield, J. A.↗

Study of the application of hydrogen fuel to long-range subsonic transport aircraft. Volume 1: Summary

The feasibility of using liquid hydrogen as fuel in advanced designs of long range, subsonic transport aircraft is assessed. Both passenger and cargo type aircraft are investigated. Comparisons of physical, performance, and economic parameters of the LH2 fueled designs with conventionally fueled aircraft are presented. Design studies are conducted to determine appropriate characteristics for the hydrogen related systems required on board the aircraft. These studies included consideration of material, structural, and thermodynamic requirements of the cryogenic fuel tanks and fuel systems with the structural support and thermal protection systems.

Brewer, G. D.↗

Heavy doping effects in high efficiency silicon solar cells

A model for bandgap shrinkage in semiconductors is developed and applied to silicon. A survey of earlier experiments, and of new ones, give an agreement between the model and experiments on n- and p-type silicon which is good as far as transport measurements in the 300 K range. The discrepancies between theory and experiment are no worse than the discrepancies between the experimental results of various authors. It also gives a good account of recent, optical determinations of band gap shrinkage at 5 K.

Lindholm, F. A.↗

Experimental and theoretical Doppler-lidar signatures of aircraft wake vortices

The DFVLR laser Doppler anemometer is a CO2 continuous wave homodyne system designed for boundary layer wind measurements. During the last three years, it was mainly used in the wake-vortex program at Frankfurt airport for determination of vortex strength, transport, and lifetime. The strategy for that special type of measurement was previously reported in detail along with single experimental results. Therefore, herein is given a short summary of the data concerning questions of air traffic control. In addition to the experimental activities a computer model describing wake-vortex behavior was installed. It allows the comparison of the measured data with the hydrodynamically predicted quantities. On the other hand, it leads to an improved procedure for future wake-vortex measurements.

Koepp, F.↗

Industrial Processes Influenced by Gravity

In considering new directions for low gravity research with particular regard to broadening the number and types of industrial involvements, it is noted that transport phenomena play a vital role in diverse processes in the chemical, pharmaceutical, food, and biotech industries. Relatively little attention has been given to the role of gravity in such processes. Accordingly, numerous industrial processes and phenomena are identified which involve gravity and/or surface tension forces. Phase separations and mixing are examples that will be significantly different in low gravity conditions. A basis is presented for expanding the scope of the low gravity research program and the potential benefits of such research is indicated.

Ostrach, Simon↗

High-efficiency indium tin oxide/indium phosphide solar cells

Improvements in the performance of indium tin oxide (ITO)/indium phosphide solar cells have been realized by the dc magnetron sputter deposition of n-ITO onto an epitaxial p/p(+) structure grown on commercial p(+) bulk substrates. The highest efficiency cells were achieved when the surface of the epilayer was exposed to an Ar/H2 plasma before depositing the bulk of the ITO in a more typical Ar/O2 plasma. With H2 processing, global efficiencies of 18.9 percent were achieved. It is suggested that the excellent performance of these solar cells results from the optimization of the doping, thickness, transport, and surface properties of the p-type base, as well as from better control over the ITO deposition procedure.

Li, X.↗

Nonlinear Fluid Computations in a Distributed Environment

The performance of a loosely and tightly-coupled workstation cluster is compared against a conventional vector supercomputer for the solution the Reynolds- averaged Navier-Stokes equations. The application geometries include a transonic airfoil, a tiltrotor wing/fuselage, and a wing/body/empennage/nacelle transport. Decomposition is of the manager-worker type, with solution of one grid zone per worker process coupled using the PVM message passing library. Task allocation is determined by grid size and processor speed, subject to available memory penalties. Each fluid zone is computed using an implicit diagonal scheme in an overset mesh framework, while relative body motion is accomplished using an additional worker process to re-establish grid communication.

Atwood, Christopher A.↗