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NASA NTRS2024

Characterizing the Structure of Lithium Metal Batteries using Local Ultrasonic Resonance Spectroscopy (LURS)

Safe use of high energy density batteries is critical for electrifying aerospace and other transportation sectors. Nondestructive evaluation (NDE) techniques are being developed for characterizing battery structures throughout their lifetimes so that damage mechanisms can be better understood, and prognostic tools can be developed. In this study Local Ultrasonic Resonance Spectroscopy (LURS) is applied to lithium metal pouch cell batteries of a variety of form-factors that are brought from fabrication to end of life under different charge rates, temperatures, and loading scenarios. LURS data shows improved sensitivity to changes in structure in comparison to amplitude-based methods, allowing differences in damage development to be identified as well as giving opportunities for quality control in manufacturing.

Matthew Webster↗

NASA NTRS2024

Characterizing the Structure of Lithium Metal Batteries using Local Ultrasonic Resonance Spectroscopy (LURS)

Ultrasound↗

DOE OSTI2022

Multi-Physics Investigation of a Natural Circulation Molten Salt Micro-Reactor that Utilizes an Experimental In-Pile Device to Improve Core Physics and System Thermal-Hydraulic Performance.

INL employee PhD Dissertation - The Molten Salt Reactor (MSR) concept is a rapidly evolving Generation IV design that has recently attracted favorable attention due to the potential for reducing waste generation, realizing passive safety features, and seizing on the opportunity for cost effective economics. This thesis investigates the performance benefit of a new device invented by the doctoral candidate. The device is referred to as a Wrapped Helix around an Inclined Plane or WHIP. The WHIP is protected under a provisional patent filed with the USA Patent Office on 28 September 2021 under application number 63/261,776, BEA docket number BA-1254. The WHIP device can be located in-core or near-core to promoted enhanced thermal-hydraulics and neutronics performance. While the WHIP can be employed in a variety of solid or liquid fuel designs, this thesis investigates the device’s benefit in the application of a natural-circulation, micro-molten salt nuclear battery concept (MsNB). This thesis will specifically investigate the temperature coefficient of the MsNB fuel (FLiNaK) using novel temperature sensitivity techniques unique to Serpent particle transport code, evaluate the WHIP’s thermal-hydraulic and neutronic performance effects using both established (STAR-CCM+) and novel (Python code developed to estimate the circulation effective delayed neutron fraction, ßef f ) analytical and numerical methods, evaluate the neutron noise behavior of the MsNB and how the WHIP may alter the character of the MsNB’s transfer function, and how the WHIP affects the autonomous, load-following performance under transient power conditions using Python code developed by the candidate. The sum body of this work, in part, has been published in three journal articles as the timing of the provisional patent process has allowed. Results show that creative utilization of WHIP engineering design and function reduces reactor system volume, fuel loading, control/stability in the buoyant regime

buoyant flow↗

NASA NTRS1999

Mass Transport in Global Geophysical Fluids

Mass transports occurring in the atmosphere-hydrosphere-solid Earth-core system (the "global geophysical fluids") are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, tides, hydrological water redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. With only a few exceptions on the Earth surface, the temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have the capability of monitoring certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. These techniques include the very-long-baseline interferometry, satellite laser ranging and Doppler tracking, and the Global Positioning System, all entail global observational networks. While considerable advances have been made in observing and understanding of the dynamics of Earth's rotation, only the lowest-degree gravitational variations have been observed and limited knowledge of geocenter motion obtained. New space missions, projects and initiatives promise to further improve the measurements and hence our knowledge about the global mass transports. The latter contributes to our understanding and modeling capability of the geophysical processes that produce and regulate the mass transports, as well as the solid Earth's response to such changes in constraining the modeling of Earth's mechanical properties.

Chao, B. F.↗

DOE OSTI2024

Review of the second charged-particle transport coefficient code comparison workshop

We report the results of the second charged-particle transport coefficient code comparison workshop, which was held in Livermore, California on 24–27 July 2023. This workshop gathered theoretical, computational, and experimental scientists to assess the state of computational and experimental techniques for understanding charged-particle transport coefficients relevant to high-energy-density plasma science. Data for electronic and ionic transport coefficients, namely, the direct current electrical conductivity, electron thermal conductivity, ion shear viscosity, and ion thermal conductivity were computed and compared for multiple plasma conditions. Additional comparisons were carried out for electron–ion properties such as the electron–ion equilibration time and alpha particle stopping power. Overall, 39 participants submitted calculated results from 18 independent approaches, spanning methods from parameterized semi-empirical models to time-dependent density functional theory. In the cases studied here, we find significant differences—several orders of magnitude—between approaches, particularly at lower temperatures, and smaller differences—roughly a factor of five—among first-principles models. We investigate the origins of these differences through comparisons of underlying predictions of ionic and electronic structure. The results of this workshop help to identify plasma conditions where computationally inexpensive approaches are accurate, where computationally expensive models are required, and where experimental measurements will have high impact.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2003

Static Aeroelastic Predictions for a Transonic Transport Model Using an Unstructured-Grid Flow Solver Coupled With a Structural Plate Technique

An equivalent-plate structural deformation technique was coupled with a steady-state unstructured-grid three-dimensional Euler flow solver and a two-dimensional strip interactive boundary-layer technique. The objective of the research was to assess the extent to which a simple accounting for static model deformations could improve correlations with measured wing pressure distributions and lift coefficients at transonic speeds. Results were computed and compared to test data for a wing-fuselage model of a generic low-wing transonic transport at a transonic cruise condition over a range of Reynolds numbers and dynamic pressures. The deformations significantly improved correlations with measured wing pressure distributions and lift coefficients. This method provided a means of quantifying the role of dynamic pressure in wind-tunnel studies of Reynolds number effects for transonic transport models.

Allison, Dennis O.↗

DOE OSTI2021

Single-hole couplings in GaAs/AlGaAs double dots probed with transport and EDSR spectroscopy

Here, we report a detailed study of the tunnel barriers within a single-hole GaAs/AlGaAs double quantum dot device (DQD). For quantum information applications as well as fundamental studies, careful tuning and reliable measurements of the barriers are important requirements. In order to tune a DQD device adequately into the single-hole electric dipole spin resonance regime, one has to employ a variety of techniques to cover the extended range of tunnel couplings. In this work, we demonstrate four separate techniques, based upon charge sensing, quantum transport, time-resolved pulsing, and electron dipole spin resonance spectroscopy to determine the couplings as a function of relevant gate voltages and magnetic field. Measurements were performed under conditions of both symmetric and asymmetric tunnel couplings to the leads. Good agreement was observed between different techniques when measured under the same conditions. The results indicate that even in this relatively simple circuit, the requirement to tune multiple gates and the consequences of real potential profiles result in non-intuitive dependencies of the couplings as a function of the plunger gate voltage and the magnetic field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1987

Traditional versus rule-based programming techniques - Application to the control of optional flight information

A traditional programming technique for controlling the display of optional flight information in a civil transport cockpit is compared to a rule-based technique for the same function. This application required complex decision logic and a frequently modified rule base. The techniques are evaluated for execution efficiency and implementation ease; the criterion used to calculate the execution efficiency is the total number of steps required to isolate hypotheses that were true and the criteria used to evaluate the implementability are ease of modification and verification and explanation capability. It is observed that the traditional program is more efficient than the rule-based program; however, the rule-based programming technique is more applicable for improving programmer productivity.

Ricks, Wendell R.↗

NASA NTRS1955

Statistical Measurements of Contact Conditions of 478 Transport-airplane Landings During Routine Daytime Operations

Statistical measurements of contact conditions have been obtained, by means of a special photographic technique, of 478 landings of present-day transport airplanes made during routine daylight operations in clear air at the Washington National Airport. From the measurements, sinking speeds, rolling velocities, bank angles, and horizontal speeds at the instant before contact have been evaluated and a limited statistical analysis of the results has been made and is reported in this report.

Silsby, Norman S↗

DOE OSTI2021

Structural and chemical evolution in layered oxide cathodes of lithium-ion batteries revealed by synchrotron techniques

Abstract Rechargeable battery technologies have revolutionized electronics, transportation and grid energy storage. Many materials are being researched for battery applications, with layered transition metal oxides (LTMO) the dominating cathode candidate with remarkable electrochemical performance. Yet, daunting challenges persist in the quest for further battery developments targeting lower cost, longer lifespan, improved energy density and enhanced safety. This is, in part, because of the intrinsic complexity of real-world batteries, featuring sophisticated interplay among microstructural, compositional and chemical heterogeneities, which has motivated tremendous research efforts using state-of-the-art analytical techniques. In this research field, synchrotron techniques have been identified as a suite of effective methods for advanced battery characterization in a non-destructive manner with sensitivities to the lattice, electronic and morphological structures. This article provides a holistic overview of cutting-edge developments in synchrotron-based research on LTMO battery cathode materials. We discuss the complexity and evolution of LTMO’s material properties upon battery operation and review recent synchrotron-based research works that address the frontier challenges and provide novel insights in this field. Finally, we formulate a perspective on future directions of synchrotron-based battery research, involving next-generation X-ray facilities and advanced computational developments.

25 ENERGY STORAGE↗

NASA NTRS1991

Characterization of devices, circuits, and high-temperature superconductor transmission lines by electro-optic testing

The development of a capability for testing transmission lines, devices, and circuits using the optically-based technique of electro-optics sampling was the goal of this project. Electro-optic network analysis of a high-speed device was demonstrated. The project involved research on all of the facets necessary in order to realize this result, including the discovery of the optimum electronic pulse source, development of an adequate test fixture, improvement of the electro-optic probe tip, and identification of a device which responded at high frequency but did not oscillate in the test fixture. In addition, during the process of investigating patterned high-critical-temperature superconductors, several non-contacting techniques for the determination of the transport properties of high T(sub c) films were developed and implemented. These are a transient, optical pump-probe, time-resolved reflectivity experiment, an impulsive-stimulated Raman scattering experiment, and a terahertz-beam coherent-spectroscopy experiment. The latter technique has enabled us to measure both the complex refractive index of an MgO substrate used for high-T(sub c) films and the complex conductivity of a YBa2Cu3O(7-x) sample. This information was acquired across an extremely wide frequency range: from the microwave to the submillimeter-wave regime. The experiments on the YBCO were conducted without patterning of, or contact to, the thin film. Thus, the need for the more difficult transmission-line experiments was eliminated. Progress in all of these areas was made and is documented in a number of papers. These papers may be found in the section listing the abstracts of the publications that were issued during the course of the research.

Whitaker, John F.↗

DOE OSTI2022

Effect of Aromatic Solvents Residuals on Electron Mobility of Organic Single Crystals

Balanced electron and hole transport properties are essential for various organic electrical/optoelectrical applications such as organic solar cells, complementary circuits, and light-emitting transistors. However, the electron transport in organic semiconductor lags far behind the hole side, making it with vital significance to seek the factors that limit the electron mobility. Here, the authors demonstrate that the π-conjugated solvents, as essential components in the widely-used solution processing techniques, can significantly suppress the electron transport if they are not properly removed and trapped as residuals. Single crystals of typical p-type materials exhibit a transition from p-type behavior to ambipolar conductance via reducing the amount of solvent residuals, and the same effect is confirmed by varied p-type materials and solvents. The highest electron mobility reaches 0.027 cm 2 V –1 s –1 and 0.029 cm 2 V –1 s –1 for 6,13-bis(triisopropylsilylethynyl)pentacene and 5,15-bis(triisopropylsilylethynyl)tetrabenzoporphyrin, respectively. Finally, this work discloses the non-negligible existence of solvent residuals even in high quality, long-range ordered organic single crystals, and further provides efficient strategies to harvest the n-type behaviors of organic semiconductor materials.

36 MATERIALS SCIENCE↗

NASA NTRS1975

Effective velocity power laws for electron-neutral collision frequencies

Calculations of electron transport coefficients in the ionosphere are simplified if the electron-neutral collision frequency can be expressed as a power law in velocity. A new method for determining the effective power law representation for electron-neutral collision frequencies of arbitrary velocity dependence is presented. This method is applied to ionospheric gases in a model calculation. Comparison with similar results of Schunk and Walker and with exact calculations of transport coefficient correction factors demonstrates this technique to be more accurate than the other. Effective power law indexes are computed for both Banks' and Itikawa's collision frequencies. Relative differences between these indexes are found to be considerably larger than the differences between the collision frequencies themselves; however, the effects on transport calculations are shown to be smaller.

Comfort, R. H.↗

DOE OSTI2021

Structure-property relationships and mobility optimization in sputtered La-doped BaSn O 3 films: Toward 100cm 2 V -1 s -1

he wide band gap semiconducting perovskite BaSnO 3 is of high current interest due to outstanding room temperature mobility at high electron density, fueled by potential applications in oxide, transparent, and power electronics. Due in part to a lack of lattice-matched substrates, BaSnO 3 thin films suffer from high defect densities, however, limiting electron mobility. Additionally, the vast majority of BaSnO 3 thin film research has focused on pulsed laser deposition or molecular beam epitaxy. In this work, we present an exhaustive optimization of the mobility of Ba 0.98 La 0.02 SnO 3 films grown by a scalable, high-throughput method: high-pressure-oxygen sputter deposition. Considering target synthesis conditions, substrate selection, buffer layer structure, deposition temperature, deposition rate, thickness, and postdeposition annealing conditions, and by combining high-resolution x-ray diffraction, reciprocal space mapping, rocking curve analysis, scanning transmission electron microscopy, atomic force microscopy, and temperature-dependent electronic transport measurements, detailed understanding of synthesis-structure-property relationships is attained. Optimized room temperature mobility of 96 cm 2 V –1 s –1 is achieved in vacuum-annealed GdScO 3 (110)/BaSnO 3 (120 nm)/Ba 0.98 La 0.02 SnO 3 (200 nm) heterostructures, as well as 92 cm 2 V –1 s –1 on unbuffered substrates and 87 2 V –1 s –1 without postdeposition annealing. These results, including important trends in defect densities and a surprising dependence of mobility on lattice mismatch, substantially expand the understanding of the interplay between deposition conditions, microstructure, and transport in doped BaSnO 3 films, establishing competitive mobilities in films fabricated via a scalable, high-throughput, industry-standard technique.

36 MATERIALS SCIENCE↗

NASA NTRS1977

Inward transport of a toroidally confined plasma subject to strong radial electric fields

The paper aims at showing that the density and confinement time of a toroidal plasma can be enhanced by radial electric fields far stronger than the ambipolar values, and that, if such electric fields point into the plasma, radially inward transport can result. The investigation deals with low-frequency fluctuation-induced transport using digitally implemented spectral analysis techniques and with the role of strong applied radial electric fields and weak vertical magnetic fields on plasma density and particle confinement times in a Bumpy Torus geometry. Results indicate that application of sufficiently strong radially inward electric fields results in radially inward fluctuation-induced transport into the toroidal electrostatic potential well; this inward transport gives rise to higher average electron densities and longer particle confinement times in the toroidal plasma.

Roth, J. R.↗

DOE OSTI2024

Carbon capture in polymer-based electrolytes

Nanoparticle organic hybrid materials (NOHMs) have been proposed as excellent electrolytes for combined CO 2 capture and electrochemical conversion due to their conductive nature and chemical tunability. However, CO 2 capture behavior and transport properties of these electrolytes after CO 2 capture have not yet been studied. Here, we use a variety of nuclear magnetic resonance (NMR) techniques to explore the carbon speciation and transport properties of branched polyethylenimine (PEI) and PEI-grafted silica nanoparticles (denoted as NOHM-I-PEI) after CO 2 capture. Quantitative 13 C NMR spectra collected at variable temperatures reveal that absorbed CO 2 exists as carbamates (RHNCOO – or RR'NCOO – ) and carbonate/bicarbonate (CO 3 2– /HCO 3 – ). The transport properties of PEI and NOHM-I-PEI studied using 1 H pulsed-field-gradient NMR, combined with molecular dynamics simulations, demonstrate that coulombic interactions between negatively and positively charged chains dominate in PEI, while the self-diffusion in NOHM-I-PEI is dominated by silica nanoparticles. These results provide strategies for selecting adsorbed forms of carbon for electrochemical reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1981

The role of fluctuation-induced transport in a toroidal plasma with strong radial electric fields

Previous work employing digitally implemented spectral analysis techniques is extended to demonstrate that radial fluctuation-induced transport is the dominant ion transport mechanism in an electric field dominated toroidal plasma. Such transport can be made to occur against a density gradient, and hence may have a very beneficial effect on confinement in toroidal plasmas of fusion interest. It is shown that Bohm or classical diffusion down a density gradient, the collisional Pedersen-current mechanism, and the collisionless electric field gradient mechanism described by Cole (1976) all played a minor role, if any, in the radial transport of this plasma.

Roth, J. R.↗

NASA NTRS1976

Crystal growth from the vapor phase experiment MA-085

Three vapor transport experiments on multicomponent systems were performed during the Apollo Soyuz mission to determine the effects of microgravity forces on crystal morphology and mass transport rates. The mixed systems used germanium selenide, tellurium, germanium tetraiodide (transport agent), germanium monosulfide, germanium tetrachloride (transport agent), and argon (inert atmosphere). The materials were enclosed in evacuated sealed ampoules of fused silica and were transported in a temperature gradient of the multipurpose electric furnace onboard the Apollo Soyuz spacecraft. Preliminary evaluation of 2 systems shows improved quality of space grown crystals in terms of growth morphology and bulk perfection. This conclusion is based on a direct comparison of space grown and ground based crystals by means of X-ray diffraction, microscopic, and chemical etching techniques. The observation of greater mass transport rates than predicted for a microgravity environment by existing vapor transport models indicates the existence of nongravity caused transport effects in a reactive solid/gas phase system.

Wiedemeir, H.↗