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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 541 records · Page 30

Electron transport in a tokamak scrape-off layer: impact of toroidal nonuniformities of divertor targets

An analysis of electron dynamics is carried out in the tokamak scrape-off layer (SOL) region. Small non-axisymmetric perturbations of the divertor target sheath potential affect electron drift orbits in the SOL and may lead to non-ambipolar electron radial transport. The resulting rates of electron convection, diffusion, and mobility are calculated analytically, and the analytic results are compared with direct numerical simulations of electron drift orbits. The proposed mechanism of non-ambipolar electron transport may be relevant to the sustainment of the SOL plasma quasi-neutrality in the ‘heuristic’ model of the SOL width (Eich et al 2011 Phys. Rev. Lett. 107 215001).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Impacts of vacancy-induced polarization and distortion on diffusion in Solid Electrolyte Li 3 OCl

We report that Lithium-rich oxychloride antiperovskites are promising solid electrolytes for enabling next-generation batteries. Here, we report a comprehensive study varying Li + concentrations in Li 3 OCl using ab initio molecular dynamics simulations. The simulations accurately capture the complex interactions between Li + vacancies (V$^'_{Li}$), the dominant mobile species in Li 3 OCl. The V$^'_{Li}$ polarize and distort the host lattice, inducing additional non-vacancy-mediated diffusion mechanisms and correlated diffusion events that reduce the activation energy barrier at concentrations as low as 1.5% V$^'_{Li}$. Our analyses of discretized diffusion events in both space and time illustrate the critical interplay between correlated dynamics, polarization and local distortion in promoting ionic conductivity in Li 3 OCl.

25 ENERGY STORAGE↗

Radiation-Hardened GaN HEMT and Cell Design, Modeling, and Fabrication for Nuclear Instrumentation Applications

Recent advances in nuclear power generation technologies show great promise for efficient, safe generation of carbon-free power in the near future. Consequently, many new generation reactor designs are being pursued by government and industry groups, including both fission- and fusion-based technologies. Radiation- and temperature-tolerant sensor technology continues to advance, yet development of the electronics/instrumentation technologies suitable for these environments have fallen behind. Industry has adequately addressed harsh environment electronics needs for low earth orbit satellites, but the much more extreme conditions associated with electronics placed near or in a reactor core remain unaddressed. This project investigates the use of gallium nitride (GaN) circuit technology to address the unique needs for sensor interface electronics and communications in reactor environments. This report provides a summary of the first year’s project activities related to developing and optimizing devices and circuits for this GaN high electronic mobility transistor (HEMT) process. Activities reported include multiple analog and digital circuit designs simulated using custom Verilog-A models generated from measured GaN devices fabricated in the target process. Digital circuit designs included fundamental logic circuits such as an inverter, NAND, NOR, AND and OR gates, as well as a 5-stage ring oscillator. Each design was simulated using an open-source SPICE simulator, and an integrated circuit layout was produced of each design for use in future fabrication. Analog circuit designs focused on the fundamental building blocks to be used to construct sensor interface and communications circuits. These included current mirrors, matched differential pairs, and a Gilbert cell mixer design, each with an associated integrated circuit layout. Layout tools used for these designs included two open-source packages—KLayout and Magic—which were customized for specific use with the OSU GaN process layers. Design rules and preliminary device extraction capabilities were built for the Magic tool to enable device extraction and subsequent netlist generation for SPICE simulation. Finally, future research directions for year two are summarized. When the year-two directions are implemented, the project will be in position to advance the state of the art in electronics for near- or in-reactor sensor interfacing and communications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Lunar rover navigation concepts

With regard to the navigation of mobile lunar vehicles on the surface, candidate techniques are reviewed and progress of simulations and experiments made up to now are described. Progress that can be made through precursor investigations on Earth is considered. In the early seventies the problem was examined in a series of relevant tests made in the California desert. Meanwhile, Apollo rovers made short exploratory sorties and robotic Lunokhods traveled over modest distances on the Moon. In these early missions some of the required methods were demonstrated. The navigation problem for a lunar traverse can be viewed in three parts: to determine the starting point with enough accuracy to enable the desired mission; to determine the event sequence required to reach the site of each traverse objective; and to redetermine actual positions enroute. The navigator's first tool is a map made from overhead imagery. The Moon was almost completely photographed at moderate resolution by spacecraft launched in the sixties, but that data set provides imprecise topographic and selenodetic information. Therefore, more advanced orbital missions are now proposed as part of a resumed lunar exploration program. With the mapping coverage expected from such orbiters, it will be possible to use a combination of visual landmark navigation and external radio and optical references (Earth and Sun) to achieve accurate surface navigation almost everywhere on the near side of the Moon. On the far side and in permanently dark polar areas, there are interesting exploration targets where additional techniques will have to be used.

Burke, James D.↗

Tracking strategies for laser ranging to multiple satellite targets

By the middle of the decade, several new Laser Geodynamic Satellites will be launched to join the current constellation comprised of the laser geodynamic satellite (LAGEOS) (US), Starlette (France), Ajisai (Japan), and Etalon I and II (USSR). The satellites to be launched, LAGEOS II and III (US & Italy), and Stella (France), will be injected into orbits that differ from the existing constellation so that geodetic and gravimetric quantities are sampled to enhance their resolution and accuracy. An examination of various possible tracking strategies adopted by the network of laser tracking stations has revealed that the recovery of precise geodetic parameters can be obtained over shorter intervals than is currently obtainable with the present constellation of satellites. This is particularly important in the planning of mobile laser tracking operations, given a network of permanently operating tracking sites. Through simulations, it is shown that laser tracking of certain satellite passes, pre-selected to provide optimal sky-coverage, provides the means to acquire a sufficient amount of data to allow the recovery of 1 cm station positions.

Robbins, J. W.↗

Liftoff and Transition Aerodynamics of the Ares I (A106) Launch Vehicle

An investigation has been conducted in the NASA Langley Research Center 14- by 22- Foot Subsonic Wind Tunnel to obtain the liftoff and transition aerodynamics of the Ares I (A106) Crew Launch Vehicle. Data were obtained in free-air at angles of attack from 10 to 90 at various roll angles and at roll angles of 0 to 360 at various angles of attack. In addition, tower effects were assessed by testing with and without a mobile launcher/tower at all wind azimuth angles and at various model heights to simulate the rise of the vehicle as it clears the tower on launch. The free-air data will be used for low speed high angle of attack flight simulation and as a bridge to the low angle of attack ascent database (0.5 < Mach < 5.0) being developed with data from the Langley Unitary Plan Wind Tunnel and Boeing Polysonic Wind Tunnel. The Ares I Database Development Team will add incremental tower effects data to the free-air data to develop the database for tower clearance.

Capone, Francis J.↗

Core Modeling & Decision Support Capabilities: FASTSim, RouteE, T3CO & OpenPATH

These are the slides on NREL's Core Modeling and Decision Support Capabilities project for presentation at the 2023 Annual Merit Review for the U.S. Department of Energy, Vehicle Technologies Office. The project is funded by the Energy-Efficient Mobility Systems program to support four core tools: the Future Automotive Systems Technology Simulator (FASTSim), the Route Energy Prediction Model (RouteE), the Transportation Technology Total Cost of Ownership (T3CO) tool, and the Open Platform for Agile Trip Heuristics (OpenPATH).

ADVANCED PROPULSION SYSTEMS↗

Subsetted model output for static variables from a LASSO-CACTI WRF simulation

Static model output from a Weather Research and Forecasting (WRF) simulation from the Large-Eddy Simulation (LES) Atmospheric Radiation Measurement (ARM) Symbiotic Simulation and Observation (LASSO) deep-convection scenario for the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign. The LASSO-CACTI simulations span grid spacings from 7.5 km to 100 m through the use of four nested domains, labeled d1 through d4. The simulations are of convection near the Sierras de Córdoba mountain range, roughly centered on the ARM Mobile Facility. More information can be found at https://www.arm.gov/capabilities/modeling/lasso. This version of the output is a collection of variables subsetted from the raw WRF output to reduce the file overhead for users not needing the full raw dataset. The subset files are in netCDF format with the height-based variables on the raw, model eta and soil levels. The variables in this file are ones that do not change during a simulation, such as the terrain height and map-scale factors.

54 ENVIRONMENTAL SCIENCES↗

Subsetted model output for aerosol-related variables from a LASSO-CACTI WRF simulation

Aerosol-related model output from a Weather Research and Forecasting (WRF) simulation from the Large-Eddy Simulation (LES) Atmospheric Radiation Measurement (ARM) Symbiotic Simulation and Observation (LASSO) deep-convection scenario for the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign. The LASSO-CACTI simulations span grid spacings from 7.5 km to 100 m through the use of four nested domains, labeled d1 through d4. The simulations are of convection near the Sierras de Córdoba mountain range, roughly centered on the ARM Mobile Facility. More information can be found at https://www.arm.gov/capabilities/modeling/lasso. This version of the output is a collection of variables subsetted from the raw WRF output to reduce the file overhead for users not needing the full raw dataset. The subset files are in netCDF format with the height-based variables on the raw, model eta levels. The aerosol properties are consistent with the Thompson aerosol-aware cloud microphysics scheme where the simulated aerosol are proxies for representative “water friendly” and “ice friendly” aerosol.

54 ENVIRONMENTAL SCIENCES↗

Mobility of twinning dislocations in copper up to supersonic speeds

Understanding the mobility of twinning dislocations is important for multiscale modeling of crystal plasticity, especially at high strain rates, where such dislocations may reach transonic or supersonic speeds. Here, we used molecular dynamics simulations to investigate the relationship between dislocation velocity and the applied resolved shear stress of an edge twinning dislocation in copper up to supersonic speeds. The twinning dislocation mobility relation is composed of two branches separated by a band of forbidden velocities. The lower velocity branch is limited by the first transverse sound speed ~2000 m/s while the upper branch stretches from ~3500 m/s in the transonic regime to supersonic velocities. Twinning dislocations cannot undergo uniform steady-state motion at velocities within the forbidden band. Our simulation results also reveal that edge twinning dislocation motion in copper is kink-mediated. We discuss the implications of our findings for the motion of twins, twinning dislocations, and twinning dislocation kinks in copper.

36 MATERIALS SCIENCE↗

Mobile user environment and satellite diversity for NGSO S-PCN's

The performance of satellite diversity under the influence of the mobile user environment is analyzed. To this end, a digital channel model is presented which takes into account the elevation angle as well as the user mobility in a given environment. For different LEO and MEO systems and for varying mobile user environments, some crucial benefits and drawbacks of satellite diversity are discussed. Specifically, the important GW service area concept is introduced. The conclusions are validated by numerical results from computer simulations. Globalstar (LEO) and Inmarsat (MEO) are compared in terms of visibility, service availability and equivalent handover complexity for different environments and user mobility.

Werner, Markus↗

Phase Transition and Liquid-like Superionic Conduction in Ag 2 S

Superionic conductivity in certain polymorphs of Ag 2 S has inspired numerous concepts for materials applications, but the relationship between the structure and the mobility of silver ions remains poorly explored. In this paper, we report ab initio molecular dynamics simulations for low- (acanthite) and high-temperature (argentite) Ag 2 S polymorphs that reveal the dynamical processes, giving rise to the superionic behavior in the latter. Similarities between their sulfur sublattices enable simulations of silver ion diffusivities and pathways on essentially an equal footing. For the higher temperature polymorph, calculated temperature-dependent mean square displacements and activation energies by the nudged elastic band method show good correspondence with expectations from the experiment. In the superionic state, silver atoms diffuse in a liquid-like behavior with no preferred diffusion pathways, within the relatively stable body-centered cubic sulfur framework. Conversely, conduction in acanthite appears to depend more on the mobilities of electronic charge carriers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mathematical model for steady state, simple ampholyte isoelectric focusing: Development, computer simulation and implementation

The elimination of Ampholine from the system by establishing the pH gradient with simple ampholytes is proposed. A mathematical model was exercised at the level of the two-component system by using values for mobilities, diffusion coefficients, and dissociation constants representative of glutamic acid and histidine. The constants assumed in the calculations are reported. The predictions of the model and computer simulation of isoelectric focusing experiments are in direct importance to obtain Ampholine-free, stable pH gradients.

Palusinski, O. A.↗

Double Paddle‐Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte

Abstract Antiperovskite structure compounds (X 3 AB, where X is an alkali cation and A and B are anions) have the potential for highly correlated motion between the cation and a cluster anion on the A or B site. This so‐called “paddle‐wheel” mechanism may be the basis for enhanced cation mobility in solid electrolytes. Through combined experiments and modeling, the first instance of a double paddle‐wheel mechanism, leading to fast sodium ion conduction in the antiperovskite Na 3− x O 1− x (NH 2 ) x (BH 4 ), is shown. As the concentration of amide (NH 2 − ) cluster anions is increased, large positive deviations in ionic conductivity above that predicted from a vacancy diffusion model are observed. Using electrochemical impedance spectroscopy, powder X‐ray diffraction, synchrotron X‐ray diffraction, neutron diffraction, ab initio molecular dynamics simulations, and NMR, the cluster anion rotational dynamics are characterized and it is found that cation mobility is influenced by the rotation of both NH 2 − and BH 4 − species, resulting in sodium ion conductivity a factor of 10 2 higher at x = 1 than expected for the vacancy mechanism alone. Generalization of this phenomenon to other compounds could accelerate fast ion conductor exploration and design.

25 ENERGY STORAGE↗

Sand Migration Simulation during Gas Production from Gas Hydrate Reservoir at Kuparuk 7–11–12 site in the Prodhoe Bay Unit, Alaska

Uncontrolled sand production impedes continuous gas production from a hydrate reservoir as observed in the past field-scale gas production tests. Sand mobilization is strongly linked with sediment deformation and high pressure gradient. Sand production occurs when the mobilized sands reach the well. Throughout gas production from a hydrate reservoir, because of hydrate dissociation, deformation and pressure gradient change both in time and space. Therefore, it is necessary to consider the entire process to identify where sand is likely mobilized and how much mobilized sand could reach the well. Here, this study utilizes a coupled thermal, hydrological, chemical, and mechanical (thermo-hydro-chemo-mechanical) sand migration model to simulate a year long gas production from the hydrate reservoir at the Kuparuk 7–11–12 site in the Prodhoe Bay Unit, Alaska. It is found that sand would mainly come from the lower portion of the production zone where faster hydrate dissociation occurs. The relatively faster hydrate dissociation coupled with the fact that hydrate-bearing sediments and hydrate-free sediments have similar stiffness but different strengths causes complex stress transfer, which results in excessive shear deformation when the upper portion of the production zone starts to dissociate. This is evident not only near the well but also away from the well, leading to a large amount of sand mobilization. Another focus of the modeling study is evaluation of the effect of sand migration on gas production. The comparison of two extreme cases–with sandscreen and without sandscreen–suggests that migrated and settled solids around a sand control device can prevent pressure drop across the near-wellbore zone and lead to reduction of the gas production rate.

59 BASIC BIOLOGICAL SCIENCES↗

Usability Evaluation of Fleet Management Interface for High Density Vertiplex Environments

To meet the rising demand for an Advanced Air Mobility (AAM) (i.e. urban and rural unmanned aircraft systems) ecosystem, the NASA Aeronautics Research Mission Directorate (ARMD) is hosting a series of simulations and flight tests under the High Density Vertiplex sub-project (HDV) to prototype and study the effectiveness AAM capabilities under various operational contexts. HDV aims to develop an integrated automation architecture to support terminal area flight operations. The HDV simulations and flight tests address safety, integration, and operational challenges, while integrated systems and software demonstrate design readiness, robustness, and interoperability. During the initial HDV simulation in 2021, a prototype traffic management tool developed by NASA called the Fleet Management Interface (FMI) was tested. FMI was designed to introduce an advanced level of human-automation interaction to aid both Ground Control Station Operators (GCSOs) and Fleet Managers (FMs) in remotely managing flights under their ownership. In a human-in-the-loop simulation, a usability study was conducted with the FMI to identify optimal approaches for displaying information to human operators using subjective measures of usability, workload, situation awareness, risk, and trust, along with qualitative feedback. This study consisted of task analysis in which GCSO and FM subjects used an Urban Air Mobility (UAM) environment to develop and execute a plan for two different traffic scenarios of remotely controlled vehicles. In each scenario, a remotely controlled vehicle completed a takeoff, active flight, and landing sequence while simulated traffic flew in the background at a rate of 20 operations per hour. In the first scenario, the controlled vehicle flew a nominal route with takeoff and landing at the same vertiport. In the second scenario, the controlled vehicle started on the nominal route, then diverted to an unplanned location mid-flight. Results showed that self- reported performance, usability, trust, and situation awareness ratings of FMI were moderately to strongly high. There were small differences between scenarios, with Scenario 2 being perceived as more unstable, complex, variable, risky, and potentially harmful than Scenario 1. Furthermore, participants described improvements that could be made to create a better user experience. For example, users suggested customizable interfaces to accommodate information display preferences, and the ability to review routes before assigning them. The results from this study will inform future development of the FMI with the end goal of creating a reference automation tool for airspace management procedures in AAM. The FMI could serve to reduce dependency on traditional air navigation services through increased automation in high density vertiplex environments.

Fleet manager↗

Charge Transport in Twisted Organic Semiconductor Crystals of Modulated Pitch

Many molecular crystals (approximately one third) grow as twisted, helicoidal ribbons from the melt, and this preponderance is even higher in restricted classes of materials, for instance, charge-transfer complexes. Previously, twisted crystallites of such complexes present an increase in carrier mobilities. In this paper, the effect of twisting on charge mobility is better analyzed for a monocomponent organic semiconductor, 2,5-bis(3-dodecyl-2-thienyl)-thiazolo[5,4-d]thiazole (BDT), that forms twisted crystals with varied helicoidal pitches and makes possible a correlation of twist strength with carrier mobility. Films are analyzed by X-ray scattering and Mueller matrix polarimetry to characterize the microscale organization of the polycrystalline ensembles. Carrier mobilities of organic field-effect transistors are five times higher when the crystals are grown with the smallest pitches (most twisted), compared to those with the largest pitches, along the fiber elongation direction. A tenfold increase is observed along the perpendicular direction. Simulation of electrical potential based on scanning electron microscopy images and density functional theory suggests that the twisting-enhanced mobility is mainly controlled by the fiber organization in the film. A greater number of tightly packed twisted fibers separated by numerous smaller gaps permit better charge transport over the film surface compared to fewer big crystallites separated by larger gaps.

36 MATERIALS SCIENCE↗