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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

NASA Tech Briefs, September 2005

Topivs include: Diamond-Coated Carbon Nanotubes for Efficient Field Emission; Improved Anode Coatings for Direct Methanol Fuel Cells; Advanced Ablative Insulators and Methods of Making Them; PETIs as High-Temperature Resin-Transfer-Molding Materials; Stable Polyimides for Terrestrial and Space Uses; Low-Density, Aerogel-Filled Thermal-Insulation Tiles; High-Performance Polymers Having Low Melt Viscosities; Nonflammable, Hydrophobic Aerogel Composites for Insulation; Front-Side Microstrip Line Feeding a Raised Antenna Patch; Medium-Frequency Pseudonoise Georadar; Facilitating Navigation Through Large Archives; Program for Weibull Analysis of Fatigue Data; Comprehensive Micromechanics-Analysis Code - Version 4.0; Component-Based Visualization System; Software for Engineering Simulations of a Spacecraft; LabVIEW Interface for PCI-SpaceWire Interface Card; Path Following with Slip Compensation for a Mars Rover; International Space Station Electric Power System Performance Code-SPACE; Software for Automation of Real-Time Agents, Version 2; Software for Optimizing Plans Involving Interdependent Goals; Computing Gravitational Fields of Finite-Sized Bodies; Custom Sky-Image Mosaics from NASA's Information Power Grid; ANTLR Tree Grammar Generator and Extensions; Generic Kalman Filter Software; Alignment Stage for a Cryogenic Dilatometer; Rugged Iris Mechanism; Treatments To Produce Stabilized Aluminum Mirrors for Cryogenic Uses; Making AlNx Tunnel Barriers Using a Low-Energy Nitrogen-Ion Beam; Making Wide-IF SIS Mixers with Suspended Metal-Beam Leads; Sol-Gel Glass Holographic Light-Shaping Diffusers; Automated Counting of Particles To Quantify Cleanliness; Phase Correction for GPS Antenna with Nonunique Phase Center; Compact Infrasonic Windscreen; Broadband External-Cavity Diode Laser; High-Efficiency Solar Cells Using Photonic-Bandgap Materials; Generating Solid Models from Topographical Data; Computationally Lightweight Air-Traffic-Control Simulation; Spool Valve for Switching Air Flows Between Two Beds; Partial Model of Insulator/ Insulator Contact Charging; Asymmetric Electrostatic Radiation Shielding for Spacecraft; and Reusable Hybrid Propellant Modules for Outer-Space Transport.

Source record↗
DOE OSTI2021

Variable Laser Ignition Pathways in Al/Pt Reactive Multilayers across 10 Decades of Pulse Duration

Pulsed laser irradiation is used to investigate the local initiation of rapid, self-propagating formation reactions in Al/Pt multilayers. The single pulse direct laser ignition of these 1.6 μm thick freestanding foils was characterized over 10 decades of pulse duration (10 ms to 150 fs). Finite element, reactive heat transport modeling of the near-threshold conditions has identified three distinct ignition pathways. For milli- to microsecond pulses, ignition occurs following sufficient absorption of laser energy to enable diffusion of Al and Pt between layers such that the heat released from the corresponding exothermic reaction overcomes conductive losses outside the laser-irradiated zone. When pulse duration is decreased into the nanosecond regime, heat is concentrated near the surface such that the Al locally melts, and a portion of the top-most bilayers react initially. The favorable kinetics and additional heat enable ignition. Further reducing pulse duration to hundreds of femtoseconds leads to a third ignition pathway. In this work, while much of the energy from these pulses is lost to ablation, the remaining heat beneath the crater can be sufficiently concentrated to drive a transverse self-propagating reaction, wherein the heat released from mixing at each interface occurs under kinetic conditions capable of igniting the subsequent layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Microstructure, Transport, and Mechanics of Compacted Clay Simulated at the 0.1 μm Scale (1400 Smectite Clay Particles) Using a Coarse-Grained Model with Explicit Counterions

Clay-rich geomaterials play a critical role in many subsurface systems. The macroscale properties of these materials (low permeability, high ionic conductivity, high swelling pressure, etc.) are sensitive to molecular-level adsorption and hydration interactions at clay−water interfaces. Efforts to develop multiscale simulation approaches to predict these properties reveal a scale gap between atomistic simulations (typically limited to systems smaller than 10 nm) and continuum-scale models (which use computational grid elements with dimensions ≳ 10 μm). In this study, we present a coarse-grained (CG) framework that partly bridges this gap by simulating compacted smectite clay assemblages with dimensions of 0.1 μm containing 1,400 clay particles across a range of dry densities (1,050 to 1,850 kg·m −3 ) and Na/Ca counterion compositions (Na fraction ranging from 0.2 to 1). The simulated systems, along with their reconstructed binary three-dimensional pore networks, are used to evaluate the microstructure, pore size distribution, tortuosity, ion diffusivity, and swelling pressure of compacted smectite clay. Results show that our approach captures important features of the mesoscale heterogeneity of compacted clays, including tactoid formation, hierarchical porosity, and anisotropic pore networks. Results also reveal how compaction and counterion composition govern emergent behaviors, including dominant pore sizes, directional transport, and electrochemical response. This work highlights the potential of CG simulations to bridge molecular and continuum scales and to advance geotechnical and environmental applications involving clay-rich materials as well as related nanoporous media such as geopolymers and calcium-silicate-hydrate. However, the results also suggest that accurate prediction of certain microstructural and mechanical properties (e.g., swelling pressure) may require even larger-scale systems on the order of 1 μm.

02 PETROLEUM↗
DOE OSTI2024

Interfacial Analysis of Blister Formation in U-10Mo Mini-Plates

A thorough investigation of potential failure mechanisms builds confidence in the performance of monolithic U-10wt%Mo (U-10Mo) fuel plates. The lowenriched uranium (LEU) fuel system is currently undergoing qualification as a high U-density fuel that can be used to convert United States high-performance research reactors from high-enriched uranium (HEU) operation. This will require establishing fuel operational limits such that fission products and a coolable geometry are retained, even during off-normal reactor operation conditions [1]. Such off-normal conditions can subject the fuel plates to temperatures where the internal pressure of precipitated fission gasses result in a permanent deformed, raised area of the cladding, referred to as a blister. These blisters can reduce the local coolability of a fuel plate and can even close coolant channels of a fuel assembly, so blistered plates are considered failed regardless of whether the fuel is truly breached. Historically, a marginto- failure is established through out-of-pile blister threshold testing of irradiated fuel plates. This is accomplished by incrementally heating irradiated fuel plates until blisters are observed. This reveals the temperature threshold that would have resulted in a blister if a plate experienced them at those irradiation conditions [2]. While the blister testing itself reveals the temperatures at which the cladding mechanical integrity was exceeded, a more thorough investigation of the interface evolution in proximity to formed blisters may reveal mechanisms as to the blister formation and retention of fission gases. Previous studies have explored potential underlying mechanisms in historical plates that may have been close to blistering [3]; however, this work is the first exploration of blister tested irradiated plates, fabricated by a commercial vendor—another requirement for qualification of the fuel system [1]. The Mini-plate 1 (MP-1) experiment was the first in a series of irradiation and post-irradiation examination (PIE) campaigns to qualify the U-10Mo monolithic fuel system. It consisted of commercially fabricated 25.4×101.5 mm Al-clad mini-plates with a monolithic U-10Mo foil coated in a Zr diffusion barrier. The primary MP-1 PIE campaign was previously completed. Among the suit of examinations was a blister testing campaign, where plates were incrementally annealed in 25°C increments until blisters were observed or a maximum temperature of 550°C was reached [4]. The previously blistered plates from this campaign were revisited in this work.

25228↗
NASA NTRS2003

The Solar Chromosphere/Corona Interface: FUV-EUV Observations and Modeling of Unresolved Coronal Funnels - I

A coronal funnel model, developed by Rabin (199l), was tested against a calibrated spectroheliogram recorded in 171 - 175 Angstrom bandpass. This image was recorded on board a sounding rocket experiment flown on 1994 November 3, called the Multi-Spectral Solar Telescope Array, II (MSSTA II), MSSTA, a joint project of Stanford University, the NASA Marshall Space Flight Center and the Lawrence Livermore National Laboratory, is an observing platform composed of a set of normal-incidence, multilayer-coated optics designed to obtain narrow bandpass, high resolution images (1 - 3 arc sec) at selected FUV, EUV and soft X-ray wavelengths (44 Angstroms - 1550 Angstroms). Using full-disk images centered at 1550 Angstroms (C IV) and 173 Angstroms (FE IX/X), the funnel model, which is based on coronal back-heating, was tested against the data incorporating observed constraints on global coverage and measured flux. Found, was a class of funnel models that could account for the quiescent, globally diffuse and unresolved emission seen in the 171 - 175 Angstrom bandpass, where the funnels are assumed to be rooted in the C IV supergranular network. These models, when incorporated with the Chianti spectral code, suggest that this emission is mostly of upper transition region origin and primarily composed of FE IX plasma. The funnels are found to have constrictions, Gamma approx. 6 - 20, which is in good agreement with the observations. Further, the fitted models simultaneously satisfy global areal constraints seen in both images; namely, that a global network of funnels must cover approx. 70 - 95 % of the total solar surface area seen in the 171 - 175 Angstrom image, and = 45 % of the disk area seen in the 1550 Angstrom bandpass. These findings support the configuration of the EUV magnetic network as suggested by Reeves et af. (1974) and put forth in more detail by Gabriel (1976). Furthermore, the models are in good agreement with differential emission measure estimates made of the transition region by Raymond & Doyle (1981) for temperatures, 250,000 K = T = 650,000 K, based on full-disk observations made on board by SkyLab.

Martinez-Galarce, D. S.↗
DOE OSTI2025

Building confidence in models for complex barrier systems for radionuclides

The modeling and simulation of the Cement-clay Interaction-Diffusion field (CI-D) experiment at the Mont Terri site in Switzerland presented here demonstrates that it is possible to capture the multiscale physical and chemical features of natural and engineered barrier systems for radionuclides. The simulations are successfully carried out with the newly developed CrunchODiTi high-performance computing software that accounts for multiple continua, including a continuum representing the electrical double layer (EDL) developed along negatively charged clay particles in clay rock. The simulation also accounts for both the complex three-dimensional (3D) geometry, expected as the norm in a geological waste repository, and the anisotropy of the geological formation. In addition, the high resolution of the model makes it possible to include "skin effects" developed at the interface between highly reactive materials, in this case between the high pH cement and the circumneutral but electrostatic Opalinus Clay. The successful history matching with the field experiment demonstrates that the distinct geochemical and physical properties of the cement and the Opalinus Clay in the CI-D experiment can be accounted for. Such analyses are essential for developing a defensible safety case for the underground storage of radioactive waste.

Sarsenbayev, Dauren↗
NASA NTRS1995

Probing the galactic disk and halo. 2: Hot interstellar gas toward the inner galaxy star HD 156359

We present Goddard High Resolution Spectrograph intermediate-resolution measurements of the 1233-1256 A spectral region of HD 156396, a halo star at l = 328.7 deg, b = -14.5 deg in the inner Galaxy with a line-of sight distance of 11.1 kpc and a z-distance of -2.8 kpc. The data have a resolution of 18 km/s Full Width at Half Maximum (FWHM) and a signal-to-noise ratio of approximately 50:1. We detect interstellar lines of Mg II, S II, S II, Ge II, and N V and determine log N/(Mg II) = 15.78 +0.25, -0.27, log N(Si II) greater than 13.70, log N(S II) greater than 15.76, log N(Ge II) = 12.20 +0.09,-0.11, and log N(N v) = 14.06 +/- 0.02. Assuming solar reference abundances, the diffuse clouds containing Mg, S, and Ge along the sight line have average logarithmic depletions D(Mg) = -0.6 +/- 0.3 dex, D(S) greater than -0.2 dex, and D(Ge) = -0.2 +/- 0.2 dex. The Mg and Ge depletions are approximately 2 times smaller than is typical of diffuse clouds in the solar vicinity. Galactic rotational modeling of the N v profiles indicates that the highly ionized gas traced by this ion has a scale height of approximately 1 kpc if gas at large z-distances corotates with the underlying disk gas. Rotational modeling of the Si iv and C iv profiles measured by the IUE satellite yields similar scale height estimates. The scale height results contrast with previous studies of highly ionized gas in the outer Milky Way that reveal a more extended gas distribtion with h approximately equals 3-4 kpc. We detect a high-velocity feature in N v and Si II v(sub LSR) approximately equals + 125 km/s) that is probably created in an interface between warm and hot gas.

Sembach, Kenneth R.↗
DOE OSTI2024

From irregular to regular eutectic growth in the Al-Al 3 Ni system: In situ observations during directional solidification

Here we investigate the irregular eutectic growth dynamics of the Al-Al 3 Ni alloy, in which one of the solid phases (Al 3 Ni) grows faceted from the liquid. Leveraging in situ optical microscopy and synchrotron transmission x-ray microscopy, we address the question of the degree of coupling between Al and Al 3 Ni at the growth front and that of the shape of the microstructures left behind in the bulk solid during directional solidification. Real-time optical observations bring evidence for a morphological transition from a eutectic-grain dependent, irregular eutectic growth at low solidification velocity V (typically 1 μm s -1 ), to a weakly anisotropic, regular growth at higher V ( reaching 10 μm s -1 ). Unprecedented x-ray nano-imaging of the solid–liquid interface, and 3D characterization of the growth patterns, were made possible by a new DS setup at Brookhaven National Laboratory’s NSLS-II. At low V, the leading tips of partly faceted Al 3 Ni crystals are observed to grow not far ahead of the Al growth front. Correlating in situ images and postmortem 3D tomographic reconstructions reveals that the presence of faceted and non-faceted regions of Al 3 Ni crystals in the solid is a direct consequence of coupling and decoupling during DS, respectively. Upon increasing V, the lead distance of Al 3 Ni vanishes, and the shape of Al 3 Ni ceases to be governed by faceted growth. These observations cast light onto the basic mechanisms (faceted growth, diffusive coupling, and the dynamics of trijunctions) governing a faceted to rod-like transition upon increasing V in the Al 3 Ni system, with broad implications to a large class of irregular eutectics.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Limited subsolidus diffusion in type B1 CAI: Evidence from Ti distribution in spinel

Most models of calcium aluminum-rich inclusions (CAI) have focused on early stages of formation by equilibrium crystallization of a homogeneous liquid. Less is known about the subsolidus cooling history of CAI. Chemical and isotopic heterogeneties on a scale of tens to hundreds of micrometers (e.g. MacPherson et al. (1989) and Podosek, et al. (1991)) suggest fairly rapid cooling with a minimum of subsolidus diffusion. However, transmission electron microscopy indicates that solid state diffusion may have been an important process at a smaller scale (Barber et al. 1984). If so, chemical evidence for diffusion could provide constraints on cooling times and temperatures. With this in mind, we have begun an investigation of the Ti distribution in spinels from two type B1 CAI from Allende to determine if post-crystallization diffusion was a significant process. The type B1 CAIs, 3529Z and 5241 have been described by Podosek et al. (1991) and by El Goresy et al. (1985) and MacPherson et al. (1989). We have analyzed spinels in these inclusions using the electron microprobe. These spinels are generally euhedral, range in size from less than 10 to 15 micron and are poikilitically enclosed by millimeter-sized pyroxene, melilite, and anorthite. Analyses were obtained from both the mantles and cores of the inclusions. Compositions of pyroxene in the vicinity of individual spinel grains were obtained by analyzing at least two points on opposite sides of the spinel and averaging the compositions. The pyroxene analyses were obtained within 15 microns of the spinel-pyroxene interface. No compositional gradients were observed within single spinel crystals. Ti concentrations in spinels included within pyroxene, melilite, and anorthite are presented.

Meeker, G. P.↗
NASA NTRS2006

Boundary-Layer-Ingesting Inlet Flow Control

This paper gives an overview of a research study conducted in support of the small-scale demonstration of an active flow control system for a boundary-layer-ingesting (BLI) inlet. The effectiveness of active flow control in reducing engine inlet circumferential distortion was assessed using a 2.5% scale model of a 35% boundary-layer-ingesting flush-mounted, offset, diffusing inlet. This experiment was conducted in the NASA Langley 0.3-meter Transonic Cryogenic Tunnel at flight Mach numbers with a model inlet specifically designed for this type of testing. High mass flow actuators controlled the flow through distributed control jets providing the active flow control. A vortex generator point design configuration was also tested for comparison purposes and to provide a means to examine a hybrid vortex generator and control jets configuration. Measurements were made of the onset boundary layer, the duct surface static pressures, and the mass flow through the duct and the actuators. The distortion and pressure recovery were determined by 40 total pressure measurements on 8 rake arms each separated by 45 degrees and were located at the aerodynamic interface plane. The test matrix was limited to a maximum free-stream Mach number of 0.85 with scaled mass flows through the inlet for that condition. The data show that the flow control jets alone can reduce circumferential distortion (DPCPavg) from 0.055 to about 0.015 using about 2.5% of inlet mass flow. The vortex generators also reduced the circumferential distortion from 0.055 to 0.010 near the inlet mass flow design point. Lower inlet mass flow settings with the vortex generator configuration produced higher distortion levels that were reduced to acceptable levels using a hybrid vortex generator/control jets configuration that required less than 1% of the inlet mass flow.

Owens, Lewis R.↗
NASA NTRS2006

Boundary-Layer-Ingesting Inlet Flow Control

This paper gives an overview of a research study conducted in support of the small-scale demonstration of an active flow control system for a boundary-layer-ingesting (BLI) inlet. The effectiveness of active flow control in reducing engine inlet circumferential distortion was assessed using a 2.5% scale model of a 35% boundary-layer-ingesting flush-mounted, offset, diffusing inlet. This experiment was conducted in the NASA Langley 0.3-meter Transonic Cryogenic Tunnel at flight Mach numbers with a model inlet specifically designed for this type of testing. High mass flow actuators controlled the flow through distributed control jets providing the active flow control. A vortex generator point design configuration was also tested for comparison purposes and to provide a means to examine a hybrid vortex generator and control jets configuration. Measurements were made of the onset boundary layer, the duct surface static pressures, and the mass flow through the duct and the actuators. The distortion and pressure recovery were determined by 40 total pressure measurements on 8 rake arms each separated by 45 degrees and were located at the aerodynamic interface plane. The test matrix was limited to a maximum free-stream Mach number of 0.85 with scaled mass flows through the inlet for that condition. The data show that the flow control jets alone can reduce circumferential distortion (DPCP(sub avg)) from 0.055 to about 0.015 using about 2.5% of inlet mass flow. The vortex generators also reduced the circumferential distortion from 0.055 to 0.010 near the inlet mass flow design point. Lower inlet mass flow settings with the vortex generator configuration produced higher distortion levels that were reduced to acceptable levels using a hybrid vortex generator/control jets configuration that required less than 1% of the inlet mass flow.

Owens, Lewis R.↗
DOE OSTI2022

Bioinspired mechanically interlocking holey graphene@SiO 2 anode

Mechanically interlocking structures that can enhance adhesion at the interface and regulate the stress distribution have been widely observed in biological systems. Inspired by the biological structures in the wings of beetles, we synthesized a holey graphene@SiO 2 anode with strong mechanical interlocking, characterized it electrochemically, and explained its performance by finite element analysis and density functional calculations. The mechanically interlocking structure enhances lithium-ion (Li + ) storage by transmitting the strain from SiO 2 to the holey graphene and by a mechano-electrochemical coupling effect. The interlocking fit hinders the abscission of SiO 2 and the distinctive structure reduces the stress and strain of SiO 2 during (de)lithiation. The positive mechano-electrochemical coupling effect preserves the amount of electrochemically active phase (Li x Si) during cycles and facilitates Li + diffusion. Therefore, the capacity shows only a slight attenuation after 8000 cycles (cycling stability), and the specific capacity is ~1200 mA h g –1 at 5 A/g (rate-performance). This study furnishes a novel way to design high-performance Li + /Na + /K + /Al 3+ anodes with large volume expansion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Elucidating the Transition of 3D Morphological Evolution of Binary Alloys in Molten Salts with Metal Ion Additives

Molten salts serve as effective high-temperature heat transfer fluids and thermal storage media used in a wide range of energy generation and storage facilities, including concentrated solar power plants, molten salt reactors and high-temperature batteries. However, at the salt–metal interfaces, a complex interplay of charge-transfer reactions involving various metal ions, generated either as fission products or through corrosion of structural materials, takes place. Simultaneously, there is a mass transport of ions or atoms within the molten salt and the parent alloys. The precise physical and chemical mechanisms leading to the diverse morphological changes in these materials remain unclear. Here, to address this knowledge gap, this work employed a combination of synchrotron X-ray nanotomography and electron microscopy to study the morphological and chemical evolution of Ni-20Cr in molten KCl-MgCl 2 , while considering the influence of metal ions (Ni 2+ , Ce 3+ , and Eu 3+ ) and variations in salt composition. Our research suggests that the interplay between interfacial diffusivity and reactivity determines the morphological evolution. The summary of the associated mass transport and reaction processes presented in this work is a step forward toward achieving a fundamental comprehension of the interactions between molten salts and alloys. Overall, the findings offer valuable insights for predicting the diverse chemical and structural alterations experienced by alloys in molten salt environments, thus aiding in the development of protective strategies for future applications involving molten salts.

36 - MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Effect of Vacuum on Force Response of an Ultrasonic Penetrator

Introduction: The Apollo astronauts encountered higher than expected resistances when interacting with the lunar soil via the Apollo Lunar Surface Drill (ALSD) and the trenching tool. Reducing the force required to move tools or other mechanical components through regolith will impact many steps of the resource extraction process. Force reduction has been achieved in soil materials by imparting vibration to tooling interfaces such as a vibratory farming cultivator, a percussive scoop, and ultrasonically resonant penetrators. Vibration-assisted tools in granular media reduce interaction forces by fluidizing a volume around the tool, allowing the tool to progress through a dynamic (fluid) medium instead of a static (solid) medium. This work seeks to quantify ultrasonic vibration’s effect on the force response of a penetrator in lunar soil simulant in vacuum sufficient to be within the molecular flow regime of any disturbed gases. Methods: A custom vacuum chamber setup, CUBEvac, was designed and built to facilitate penetration testing in a high vacuum environment, for comparison to penetration behavior in ambient terrestrial environment. A two-stage pumping system (Agilent Triscroll 600 roughing pump, Agilent VHS-6 oil diffusion pump) reached chamber pressures of about 5x10-6 Torr with regolith simulant in place. Figure 1 is a schematic of the heart of the assembly (note the penetration drive mechanisms above the chamber feedthrough and the regolith simulant sample in the bottom are not shown). The penetration actuation stack was comprised of a stepper motor driving a lead screw to move the ultra-sonic probe vertically inside the chamber. Motion was coordinated with an Arduino Uno. GRC-3 lunar simulant was used for this set of experiments. Samples were prepared in a four-liter stain-less steel, cylindrical pot with an internal diameter of approximately 15.56 cm (6.125 in) and a depth of 19.37 cm (7 5/8 in) for testing. The soil was baked out prior to compaction preparation as a measure to reduce soil moisture which interfered with pump down capacity. The soil was not baked again if it was removed from the vacuum chamber, prepped, and immediately returned to the vacuum chamber for pump down. The soil was compacted using a 60 Hz vibration table with a surcharge of 34 kg place on top of the soil in the container. Prepared soil samples weighed approximately 6.5 kg (bulk density 1.895-1.934 g/cm3). Two probe end effectors were tested: A cone penetrometer (static only) with a nominal diameter of 12.7 mm (0.5 in) and a nominal height of 28.6 mm (1.125 in); and a vibrating cylindrical probe measuring 12.7 mm in diameter and 50.8 mm in effective length from the tip (Figure 2). The cylindrical probe vibrated resonantly at 20 kHz with an amplitude 23 μm. The cone penetration tests were conducted to assess potential soil behavior differences in vacuum. The cylinder probe tests were conducted as the primary subject of this investigation to assess force response in vacuum. For each test, a regolith simulant sample was load-ed and compacted in the chamber, which was then evacuated for roughly 18 hours to reach the lowest possible pressure (approximately 5x10-6 Torr for most tests). The probe was then moved to about 10 mm above the soil surface before being pushed to a depth of 50 mm for the cylinder probe tests and to a depth of 100 mm for the cone penetrometer tests, both at a speed of 2 mm/s. The simulant samples were prepared the same for all tests. Ideally, they would respond consistently to probe penetration under ambient and vacuum conditions. This was evaluated by measuring the resistance of representative prepared simulant beds with a standard cone penetrometer in both environments. Results and Discussion: The resistance of the simulant samples in the vacuum tests was consistently lower than in the ambient tests as determined by the cone penetration tests. Thus, the ambient and vacuum results cannot be compared directly; work is underway to de-confound and better correlate the data. Still, figures 3-6 show that probe penetration forces are lower overall in the vacuum environment. In both environments, resonant vibration of the probe provides two useful effects: It reduces the probe penetration force and smooths the force-depth curve, significantly reducing local maxima. These effects have implications for various potential applications, such as astronaut hand-tools, where benefits (reducing astronaut effort) outweigh the cost of the additional energy re-quired to generate vibration. These results demonstrate that resonantly vibrating tools can meaningfully reduce the penetration force required for excavation, probing, and drilling tools in simulated lunar regolith deposits under vacuum levels approaching those that will be experience on the Moon’s surface. Lunar-gravity, ambient environment tests are scheduled soon. The effects of realistic temperatures and temperature gradients and deeper vacuum remain to be tested.

E Rezich↗
DOE OSTI2020

Electron transport in gaseous detectors with a Python-based Monte Carlo simulation code

Understanding electron drift and diffusion in gases and gas mixtures is a topic of central importance for the development of modern particle detection instrumentation. The industry-standard MagBoltz code has become an invaluable tool during its 20 years of development, providing capability to solve for electron transport (‘swarm’) properties based on a growing encyclopedia of built-in collision cross sections. We have made a refactorization of this code from FORTRAN into Cython, and studied a range of gas mixtures of interest in high energy and nuclear physics. The results from the new open source PyBoltz package match the outputs from the original MagBoltz code, with comparable simulation speed. An extension to the capabilities of the original code is demonstrated, in implementation of a new Modified Effective Range Theory interface. We hope that the versatility afforded by the new Python code-base will encourage continued use and development of the MagBoltz tools by the particle physics community.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Rechargeable Alkali-Ion Battery Materials: Theory and Computation

Since its development in the 1970s, the rechargeable alkali-ion battery has proven to be a truly transformative technology, providing portable energy storage for devices ranging from small portable electronics to sizable electric vehicles. Here, we present a review of modern theoretical and computational approaches to the study and design of rechargeable alkali-ion battery materials. Additionally, starting from fundamental thermodynamics and kinetics phenomenological equations, we rigorously derive the theoretical relationships for key battery properties, such as voltage, capacity, alkali diffusivity, and other electrochemically relevant computable quantities. We then present an overview of computational techniques for the study of rechargeable alkali-ion battery materials, followed by a critical review of the literature applying these techniques to yield crucial insights into battery operation and performance. Finally, we provide perspectives on outstanding challenges and opportunities in the theory and computation of rechargeable alkali-ion battery materials.

25 ENERGY STORAGE↗
NASA NTRS2009

Complementary Barrier Infrared Detector

The complementary barrier infrared detector (CBIRD) is designed to eliminate the major dark current sources in the superlattice infrared detector. The concept can also be applied to bulk semiconductor- based infrared detectors. CBIRD uses two different types of specially designed barriers: an electron barrier that blocks electrons but not holes, and a hole barrier that blocks holes but not electrons. The CBIRD structure consists of an n-contact, a hole barrier, an absorber, an electron barrier, and a p-contact. The barriers are placed at the contact-absorber junctions where, in a conventional p-i-n detector structure, there normally are depletion regions that produce generation-recombination (GR) dark currents due to Shockley-Read- Hall (SRH) processes. The wider-bandgap complementary barriers suppress G-R dark current. The barriers also block diffusion dark currents generated in the diffusion wings in the neutral regions. In addition, the wider gap barriers serve to reduce tunneling dark currents. In the case of a superlattice-based absorber, the superlattice itself can be designed to suppress dark currents due to Auger processes. At the same time, the barriers actually help to enhance the collection of photo-generated carriers by deflecting the photo-carriers that are diffusing in the wrong direction (i.e., away from collectors) and redirecting them toward the collecting contacts. The contact layers are made from materials with narrower bandgaps than the barriers. This allows good ohmic contacts to be made, resulting in lower contact resistances. Previously, THALES Research and Technology (France) demonstrated detectors with bulk InAsSb (specifically InAs0.91Sb0.09) absorber lattice-matched to GaSb substrates. The absorber is surrounded by two wider bandgap layers designed to minimize impedance to photocurrent flow. The wide bandgap materials also serve as contacts. The cutoff wavelength of the InAsSb absorber is fixed. CBIRD may be considered as a modified version of the THALES double heterostructure (DH) p-i-n device, but with even wider bandgap barriers inserted at the contact layer/absorber layer interfaces. It is designed to work with either bulk semiconductors or superlattices as the absorber material. The superlattice bandgap can be adjusted to match the desired absorption cutoff wavelength. This infrared detector has the potential of high-sensitivity operation at higher operating temperatures. This would reduce cooling requirements, thereby reducing the power, mass, and volume of the equipment and allowing an increased mission science return.

Ting, David Z.↗
DOE OSTI2023

On the evolution of scalar iso-surface area density in a turbulent mixing layer

In this paper, the transport equation for scalar iso-surface area density (Σ) in a turbulent, temporally developing mixing layer is examined. Exploring the spatial and temporal evolution of the terms in the Σ transport equation is vital to improving our understanding of turbulent flows characterized by distinct interfaces, e.g. the flame surface or the turbulent/non-turbulent interface. Previous work reported by the authors identified that Σ exhibits self-similar behaviour consistent with the development of the temporal mixing layer. Accordingly, each of the terms in the Σ transport equation is found to behave in a self-similar manner, though there are notable differences in the self-similar behaviours for each term. Based on the results presented herein, it is suggested that the rate of change of Σ (∂Σ/∂t) and the advection term scale with hλ Φ /ΔU, where h is the width of the mixing layer, λ Φ is the scalar Taylor length scale and ΔU is the velocity difference. The production and destruction terms are found to scale with an additional factor (ReSc) 1/2 . In contrast, the molecular diffusion term is found to scale with a factor (ReSc) –1/2 compared to ∂Σ/∂t. Importantly, it is found that the difference between the production and destruction terms, or net surface ‘stretch’, scales with the same factor as ∂Σ/∂t and the advection term, which may have a significant impact on how the evolution of Σ is understood and modelled in turbulent flows.

42 ENGINEERING↗