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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Revisiting metal fluorides as lithium-ion battery cathodes

Metal fluorides, promising lithium-ion battery cathode materials, have been classified as conversion materials due to the reconstructive phase transitions widely presumed to occur upon lithiation. We challenge this view by studying FeF 3 using X-ray total scattering and electron diffraction techniques that measure structure over multiple length scales coupled with density functional theory calculations, and by revisiting prior experimental studies of FeF 2 and CuF 2 . Metal fluoride lithiation is instead dominated by diffusion-controlled displacement mechanisms, and a clear topological relationship between the metal fluoride F- sublattices and that of LiF is established. Initial lithiation of FeF3 forms FeF2 on the particle's surface, along with a cation-ordered and stacking-disordered phase, A-Li x Fe y F 3 , which is structurally related to alpha-/beta-LiMn 2+ Fe 3+ F 6 and which topotactically transforms to B- and then C-Li x Fe y F 3 , before forming LiF and Fe. Lithiation of FeF 2 and CuF 2 results in a buffer phase between FeF 2 /CuF 2 and LiF. Overall, the resulting principles will aid future developments of a wider range of isomorphic metal fluorides.

25 ENERGY STORAGE↗
NASA NTRS1974

Nonlinear theory of electron neutralization waves in ions beams with dissipation

An analytical theory of nonlinear neutralization waves generated by injection of electrons from a grid in the direction of a homogeneous ion beam of uniform velocity and infinite extension is presented. The electrons are assumed to interact with the ions through the self-consistent space charge field and by strong collective interactions, while diffusion in the pressure gradient is disregarded (zero-temperature approximation). The associated nonlinear boundary-value problem is solved in closed form by means of a von Mises transformation. It is shown that the electron gas moves into the ion space in the form of a discontinuous neutralization wave, which exhibits a periodic field structure (incomplete neutralization). This periodic wave structure is damped out by intercomponent momentum transfer - i.e., after a few relaxation lengths a quasi-neutral plasma results.

Wilhelm, H. E.↗
NASA NTRS1985

Method of measuring field funneling and range straggling in semiconductor charge-collecting junctions

Electric-field funneling length is measured while irradiating a semiconductor charge-collecting junction with electron-hole-pair generating charged particles at a first junction bias voltage. The bias voltage is then reduced to a second level in order to reduce the depth of the depletion region such that the total charge can no longer be collected by drift and measured in the energy band previously displayed in the multichannel analyzer. This is representative of the maximum electric field funneling length which may be calculated by measuring the difference at the second bias voltage level of the depletion width and the ion penetration range. The bias voltage is further lowered to a third level at which the particles are collected over a spread of energy levels while at least some of the particles are still collected at the selected energy level. From this the different depths of penetration of the particles are determined while additional effects due to diffusion are minimized.

Zoutendyk, J. A.↗
NASA NTRS1987

Method of measuring field funneling and range straggling in semiconductor charge-collecting junctions

Electric-field funneling length is measured while irradiating a semiconductor charge-collecting junction with electron-hole-pair generating charged particles at a first junction bias voltage. The bias voltage is then reduced to a second level in order to reduce the depth of the depletion region such that the total charge can no longer be collected by drift and measured in the energy band previously displayed in the multichannel analyzer. This is representative of the maximum electric field funnelling length which may be calculated by measuring the difference at the second bias voltage level of the depletion width and the ion penetration range. The bias voltage is further lowered to a third level at which the particles are collected over a spread of energy levels while at least some of the particles are still collected at the selected energy level. From this the different depths of penetration of the particles are determined while additional effects due to diffusion are minimized.

Zoutendyk, John A.↗
NASA NTRS1977

Surface recombination velocity and diffusion length of minority carriers in heavily doped silicon layers

Quantitative analysis of the electron beam-induced current and the dependence of the effective diffusion length of the minority carriers on the penetration depth of the electron beam were employed for the analysis of the carrier recombination characteristics in heavily doped silicon layers. The analysis is based on the concept of the effective excitation strength of the carriers which takes into consideration all possible recombination sources. Two dimensional mapping of the surface recombination velocity of P-diffused Si layers will be presented together with a three dimensional mapping of minority carrier lifetime in ion implanted Si. Layers heavily doped with As exhibit improved recombination characteristics as compared to those of the layers doped with P.

Gatos, H. C.↗
NASA NTRS1986

Effect of low-energy hydrogen ion implantation on dendritic web silicon solar cells

The effect of a low-energy (0.4 keV), short-time (2-min), heavy-dose (10 to the 18th/sq cm) hydrogen ion implant on dendritic web silicon solar cells and material was investigated. Such an implant was observed to improve the cell open-circuit voltage and short-circuit current appreciably for a number of cells. In spite of the low implant energy, measurements of internal quantum efficiency indicate that it is the base of the cell, rather than the emitter, which benefits from the hydrogen implant. This is supported by the observation that the measured minority-carrier diffusion length in the base did not change when the emitter was removed. In some cases, a threefold increase of the base diffusion length was observed after implantation. The effects of the hydrogen implantation were not changed by a thermal stress test at 250 C for 111 h in nitrogen. It is speculated that hydrogen enters the bulk by traveling along dislocations, as proposed recently for edge-defined film-fed growth silicon ribbon.

Rohatgi, A.↗
DOE OSTI2021

Persistent and partially mobile oxygen vacancies in Li-rich layered oxides

Increasing the energy density of layered oxide battery electrodes is challenging as accessing high states of delithiation often triggers voltage degradation and oxygen release. Here we utilize transmission-based X-ray absorption spectromicroscopy and ptychography on mechanically cross-sectioned Li 1.18–x Ni 0.21 Mn 0.53 Co 0.08 O 2–δ electrodes to quantitatively profile the oxygen deficiency over cycling at the nanoscale. The oxygen deficiency penetrates into the bulk of individual primary particles (~200 nm) and is well-described by oxygen vacancy diffusion. Using an array of characterization techniques, we demonstrate that, surprisingly, bulk oxygen vacancies that persist within the native layered phase are indeed responsible for the observed spectroscopic changes. We additionally show that the arrangement of primary particles within secondary particles (~5 μm) causes considerable heterogeneity in the extent of oxygen release between primary particles. Finally, our work merges an ensemble of length-spanning characterization methods and informs promising approaches to mitigate the deleterious effects of oxygen release in lithium-ion battery electrodes.

25 ENERGY STORAGE↗
NASA NTRS1979

Magnetic field effects on ionization inhomogeneities advected by motions of the neutral gas

A theory is developed for the ambipolar diffusion, drift, distortion, and production of ionization inhomogeneities within weakly ionized plasma in the presence of the geomagnetic field and motions of the neutral gas. The theory developed includes spatially varying velocity fields of the neutral gas, with a special emphasis on investigating the length scale restrictions necessary for the plasma to be treated as spatially homogeneous. Several effects of the magnetic field on ionization inhomogeneities are discussed. These include the anisotropy of ambipolar diffusion, the distortion and drift due to a gravitational field, the production of irregularities due to the turbulent acceleration field, the drift relative to the neutral gas, and the distortion of ionization inhomogeneities due to the effects of a uniform wind. Pertinent equations are derived for a multispecies plasma containing positive or negative ions, and for the case of electrons and one species of positive ions.

Hill, R. J.↗
DOE OSTI2021

Size-Dependent Electrical Transport Properties in Conducting Diamond Nanostripes

With the advances in nanofabrication technology, horizontally aligned and well-defined nitrogen-doped ultrananocrystalline diamond nanostripes can be fabricated with widths in the order of tens of nanometers. The study of the size-dependent electron transport properties of these nanostructures is crucial to novel electronic and electrochemical applications. In this paper, 100 nm thick n-type ultrananocrystalline diamond thin films were synthesized by microwave plasma-enhanced chemical vapor deposition method with 5% N2 gas in the plasma during the growth process. Then the nanostripes were fabricated using standard electron beam lithography and reactive ion etching techniques. The electrical transport properties of the free-standing single nanostripes of different widths from 75 to 150 nm and lengths from 1 to 128 μm were investigated. The study showed that the electrical resistivity of the n-type ultrananocrystalline diamond nanostripes increased dramatically with the decrease in the nanostripe width. The nanostripe resistivity was nearly doubted when the width was reduced from 150 nm to 75 nm. The size-dependent variability in conductivity could originate from the imposed diffusive scattering of the nanostripe surfaces which had a further compounding effect to reinforce the grain boundary scattering.

Zhou, Andrew F. (ORCID:0000000243050409)↗
DOE OSTI2022

The Importance of Surface Oxygen for Lithiation and Morphology Evolution during Calcination of High-Nickel NMC Cathodes

Nanoscale morphology has a direct impact on the performance of materials for electrochemical energy storage. Despite this importance, little is known about the evolution of primary particle morphology nor its effect on chemical pathways during synthesis. In this work, operando characterization is combined with atomic-scale and continuum simulations to clarify the relationship between morphology of cathode primary particles and their lithiation during calcination of LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC-811). This combined approach reveals a key role for surface oxygen adsorption in facilitating the lithiation reaction by promoting metal diffusion and oxidation, and simultaneously providing surface sites for lithium insertion. Furthermore, oxygen surface termination is shown to increase the activation energy for sintering, leading to smaller primary particle sizes at intermediate temperatures. Smaller particles provide both shorter diffusion lengths for lithium incorporation and increased surface site density for lithium insertion. These insights provide a foundation for more tailored syntheses of cathode materials with optimized performance characteristics.

25 ENERGY STORAGE↗
DOE OSTI2023

High-speed mapping of surface charge dynamics using sparse scanning Kelvin probe force microscopy

Unraveling local dynamic charge processes is vital for progress in diverse fields, from microelectronics to energy storage. This relies on the ability to map charge carrier motion across multiple length- and timescales and understanding how these processes interact with the inherent material heterogeneities. Towards addressing this challenge, we introduce high-speed sparse scanning Kelvin probe force microscopy, which combines sparse scanning and image reconstruction. This approach is shown to enable sub-second imaging (>3 frames per second) of nanoscale charge dynamics, representing several orders of magnitude improvement over traditional Kelvin probe force microscopy imaging rates. Bridging this improved spatiotemporal resolution with macroscale device measurements, we successfully visualize electrochemically mediated diffusion of mobile surface ions on a LaAlO 3 /SrTiO 3 planar device. Such processes are known to impact band-alignment and charge-transfer dynamics at these heterointerfaces. Furthermore, we monitor the diffusion of oxygen vacancies at the single grain level in polycrystalline TiO 2 . Through temperature-dependent measurements, we identify a charge diffusion activation energy of 0.18 eV, in good agreement with previously reported values and confirmed by DFT calculations. Together, these findings highlight the effectiveness and versatility of our method in understanding ionic charge carrier motion in microelectronics or nanoscale material systems.

25 ENERGY STORAGE↗
DOE OSTI2023

Deep learning assisted jet tomography for the study of Mach cones in QGP

Abstract Mach cones are expected to form in the expanding quark-gluon plasma (QGP) when energetic quarks and gluons traverse the hot medium at a velocity faster than the speed of sound in high-energy heavy-ion collisions. The shape of the Mach cone and the associated diffusion wake are sensitive to the initial jet production location and the propagation direction of the parton shower relative to the radial flow because of the distortion caused by the collective expansion of the QGP and the large density gradient. The shape of jet-induced Mach cones and their distortions in heavy-ion collisions provide a unique and direct probe of the dynamical evolution and the equation of state of QGP. However, it is difficult to identify the Mach cone and the diffusion wake in current experimental measurements of final hadron distributions because they are averaged over all possible initial jet production locations and parton-shower propagation directions. To overcome this difficulty, we develop a deep learning assisted jet tomography which uses the full information of the final hadrons from jets to localize the initial jet production positions. This method can help to constrain the initial regions of jet production in heavy-ion collisions and enable a differential study of Mach-cones with different path lengths and orientations relative to the radial flow of the QGP in heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2010

Does the Hall Effect Solve the Flux Pileup Saturation Problem?

It is well known that magnetic flux pileup can significantly speed up the rate of magnetic reconnection in high Lundquist number resistive MHD,allowing reconnection to proceed at a rate which is insensitive to the plasma resistivity over a wide range of Lundquist number. Hence, pileup is a possible solution to the Sweet-Parker time scale problem. Unfortunately, pileup tends to saturate above a critical value of the Lundquist number, S_c, where the value ofS_c depends on initial and boundary conditions, with Sweet-Parker scaling returning above S_c. It has been argued (see Dorelli and Bim [2003] and Dorelli [2003]) that the Hall effect can allow flux pileup to saturate (when the scale of the current sheet approaches ion inertial scale, di) before the reconnection rate begins to stall. However, the resulting saturated reconnection rate, while insensitive to the plasma resistivity, was found to depend strongly on the di. In this presentation, we revisit the problem of magnetic island coalescence (which is a well known example of flux pileup reconnection), addressing the dependence of the maximum coalescence rate on the ratio of di in the "large island" limit in which the following inequality is always satisfied: l_eta di lambda, where I_eta is the resistive diffusion length and lambda is the island wavelength.

Dorelli, John C.↗
DOE OSTI2024

Chemical Long-Range Disorder in Prussian Blue Analogues for Potassium Storage

Ordered Prussian blue analogues (PBAs) are vital cathode materials for ion storage, but strong interactions between the framework and host ions, especially large ions like K + , hinder ion migration, leading to poor diffusion kinetics and reduced reaction activity. Here, in this study, we present an approach to overcome this challenge by constructing chemical long-range disorder (LRD) in PBAs, involving maintaining inherent local coordination while introducing disorder over long-range spatial dimensions. Order control is achieved by introducing a large-sized lattice to disrupt the original lattice growth during synthesis. Unlike traditional monocrystalline particles, the abundant grain boundaries in the obtained LRD structure create significant potential fluctuations, generating additional electric fields that enhance ion transport. Furthermore, the short lattice coherence length reduces interaction between the framework and K + . These factors collectively contribute to the improved electrochemical activity of LRD PBAs during K + storage. This finding opens new avenues for designing PBA structures and offers insights into their structure-electrochemical performance relationship.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

Development And Testing Of The Inertial Electrostatic Confinement Diffusion Thruster

The Inertial Electrostatic Confinement (IEC) diffusion thruster is an experiment in active development that takes advantage of physical phenomenon that occurs during operation of an IEC device. The IEC device has been proposed as a fusion reactor design that relies on traditional electrostatic ion acceleration and is typically arranged in a spherical geometry. The design incorporates two radially-symmetric spherical electrodes. Often the inner electrode utilizes a grid of wire shaped in a sphere with a radius 15 to 50 percent of the radius of the outer electrode. The inner electrode traditionally has 90 percent or more transparency to allow particles (ions) to pass to the center of the spheres and collide/recombine in the dense plasma core at r=0. When operating the IEC, an unsteady plasma leak is typically observed passing out one of the gaps in the lattice grid of the inner electrode. The IED diffusion thruster is based upon the idea that this plasma leak can be used for propulsive purposes. The IEC diffusion thruster utilizes the radial symmetry found in the IEC device. A cylindrical configuration is employed here as it will produce a dense core of plasma the length of the cylindrical grid while promoting the plasma leak to exhaust through an electromagnetic nozzle at one end of the apparatus. A proof-of-concept IEC diffusion thruster is operational and under testing using argon as propellant (Figure 1).

Becnel, Mark D.↗
DOE OSTI2023

Probing the Structure and Dynamics of Fluid Mixtures in Porous Materials Through Ultrafast Vibrational Spectro-Microscopy and Many-Body Molecular Dynamics

This research program focused on the characterization of both molecular structure and dynamics of aqueous solutions in various metal-organic frameworks (MOFs) and organic polymers that have recently been proposed for applications in water treatment technologies. This was accomplished by integrating ultrafast vibrational spectroscopy and microscopy, which are sensitive to local environments, molecular orientation, and dynamical couplings, with many-body molecular dynamics (MB-MD) simulations, which enable realistic modeling of aqueous systems and porous materials under different thermodynamic conditions. Our studies allowed for identifying the physical mechanisms and characterizing the underlying molecular interactions between water and host materials that determine the adsorption and transport processes of water in various MOFs and β-cyclodextrin polymers – prototypical examples of porous materials and polymers, that have recently been proposed for technological applications in water purification. By combining bulk- and surface-sensitive, spatially resolved ultrafast vibrational spectroscopy with MB-MD simulations, it was possible to gain broad insight into the structure and mobility of water under heterogeneous confinement at various length scales. In particular, measurements of surface- and bulk-sensitive vibrational spectra at single crystal level, integrated with MB-MD simulations were used to characterize domain-specific, structure–binding affinity relationships. Besides providing specific information about the behavior of aqueous solutions in prototypical MOFs and organic polymers for potential applications in water treatment technologies, our studies also provided fundamental insights into the properties of aqueous solutions in confined heterogeneous environments, which have broad implications in many areas, ranging from heterogeneous catalysis to oil recovery, ion transport processes, and reaction-diffusion processes in crowded systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

The electromagnetic ion cyclotron instability in the Io torus

The electromagnetic ion cyclotron waves which are expected to exist in the Jovian magnetosphere are investigated. The temperature anisotropy generated by the inward radial diffusion of hot ions gives rise to an instability of L mode waves in the off-equatorial region of the Io torus. The resulting pitch angle scattering has been suggested as the cause for the precipitation of ions into the loss cone and auroral excitation. The linear wave dispersion is first examined, and the nonlinear wave amplitude for the saturated state is studied. Two estimates of the wave saturation level are checked by performing an electromagnetic hybrid simulation. Estimated nonlinear saturation amplitudes are compared with those resulting from linear amplification in a finite length. The result shows that the waves in the Jovian magnetosphere produced by the hot protons are mostly in a linear regime.

Machida, S.↗
DOE OSTI2024

Multiscale approaches for optimizing the impact of strain on Na-ion battery cycle life

Abstract The high costs and geopolitical challenges inherent to the lithium-ion (Li-ion) battery supply chain have driven a rising interest in the development of sodium-ion (Na-ion) batteries as a potential alternative. Unfortunately, the larger ionic radius of Na limits the reversibility of cycling because of the extensive atomic rearrangements that accompany Na-ion insertion, which in turn limit diffusion and charging speed, and lead to rapid degradation of the electrodes. The Center for Strain Optimization for Renewable Energy (STORE) was established to address these challenges and develop new electrode materials for Na-ion cells. This article discusses the current state-of-the-art materials used in Na-ion cells and several directions that STORE believes are critical to understand and control the structural and volumetric changes during the reversible (de)insertion of large cations. Graphical abstract Highlights Understanding the fundamental way materials respond to localized strains at the atomic length-scale is a critical first step in the development of highly reversible, long cycle life, Na-ion insertion hosts. This perspective explores a variety of methods that can be employed to mitigate the detrimental effects of large strain. The insights gained from these investigations should help lay the foundation for the creation of more economical and sustainable batteries that could have immediate impact on global energy infrastructure. Discussion Although there is near universal agreement that electrochemical energy storage must be an integral part of a green-energy future, there is less agreement about how to reduce the cost of energy storage. Replacing high-cost lithium-ion cells with lower-cost sodium-ion batteries is one option frequently considered in future energy models, but the details of what can be achieve with optimized sodium cell performance remains unclear. Here we posit that developing methods to mitigating strain on the electrode particle length scale is a key factor for achieving long-cycle-life sodium-ion batteries. Mitigating strain on the atomic scale suppress electrode-level volume change. Allowing for fast cycling in materials without the problems of electrode cracking or delamination. We further posit that understanding volume change in sodium-ion electrodes at a fundamental level will lead to the designing new sodium-ion electrode materials that will allow for efficient, stable, lower-cost energy storage.

Brady, Michael J.↗