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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Revealing the Defect‐Driven Ferroelectric Mechanisms of Aluminum Nitride

Wurtzite III-nitride compounds are CMOS-compatible with widespread industrial interest to exercise ferroelectricity, despite their polar structure being highly resistant to polarization reversal. Here, we induce and tune ferroelectric properties in w-AlN via direct-write ion-beam processing, using nanoscale patterned defect engineering as a post-growth alternative to conventional cation substitution. Nanometric piezoresponse spectroscopy of the focused He + beam patterned defect concentrations in ferroelectric Al 0.92 B 0.08 N measures a localized 10x enhancement in effective piezoresponse and 40% reduction in switching barrier. The irradiation-induced point defects convert piezoelectric AlN into a ferroelectric system with site-saturated nucleation and raise the dielectric susceptibility, switched polarization, and effective piezoelectric coefficient. Enhanced defect-lattice interactions in AlN increase carrier conduction and phonon scattering loss but preserve long-range crystallinity. Here, based on atomistic analysis of nudged elastic band density functional theory calculations and reactive force field simulations, both nitrogen vacancies and defect complexes disrupt bond ordering, facilitating a line-by-line low-barrier switching of pristine AlN.

36 MATERIALS SCIENCE↗
NASA NTRS1973

The magnetic ion-mass spectrometer on Atmosphere Explorer.

The magnetic ion-mass spectrometer is designed to measure the abundances of the ambient positive ions in the ionosphere. It will be calibrated in flight against the retarding-potential analyzer and the cylindrical electrostatic probe to give absolute concentration data for the ion species detected. These parameters can be measured to approximately plus or minus 10% in well-behaved regions where concentrations are above 1000/cu cm. However, in highly structured polar regions, some degradation in accuracy may be expected. Three mass ranges, covered simultaneously by the scan of the instrument, 1 to 4, 4 to 16, and 16 to 64 amu, permit measurement of the entire mass range, 1 to 64 amu, in 1 sec in the main (peaks) mode. An alternate mode, analog-long, will extend the mass range to 90 amu with a 9-sec period.

Hoffman, J. H.↗
DOE OSTI2020

A Micelle Electrolyte Enabled by Fluorinated Ether Additives for Polysulfide Suppression and Li Metal Stabilization in Li-S Battery

The Li-S battery is a promising next-generation technology due to its high theoretical energy density (2600 Wh kg -1 ) and low active material cost. However, poor cycling stability and coulombic efficiency caused by polysulfide dissolution have proven to be major obstacles for a practical Li-S battery implementation. In this work, we develop a novel strategy to suppress polysulfide dissolution using hydrofluoroethers (HFEs) with bi-functional, amphiphlic surfactant-like design: a polar lithiophilic "head" attached to a fluorinated lithiophobic "tail." A unique solvation mechanism is proposed for these solvents whereby dissociated lithium ions are readily coordinated with lithiophilic "head" to induce self-assembly into micelle-like complex structures. Complex formation is verified experimentally by changing the additive structure and concentration using small angle X-ray scattering (SAXS). These HFE-based electrolytes are found to prevent polysulfide dissolution and to have excellent chemical compatibility with lithium metal: Li||Cu stripping/plating tests reveal high coulombic efficiency (>99.5%), modest polarization, and smooth surface morphology of the uniformly deposited lithium. Li-S cells are demonstrated with 1395 mAh g-1 initial capacity and 71.9% retention over 100 cycles at >99.5% efficiency-evidence that the micelle structure of the amphiphilic additives in HFEs can prohibit polysulfide dissolution while enabling facile Li + transport and anode passivation.

25 ENERGY STORAGE↗
DOE OSTI2020

Sample Dependence of Magnetism in the Next-Generation Cathode Material LiNi 0.8 Mn 0.1 Co 0.1 O 2

We present a structural and magnetic study of two batches of polycrystalline LiNi 0.8 Mn 0.1 Co 0.1 O 2 (commonly known as Li NMC 811), a Ni-rich Li ion battery cathode material, using elemental analysis, X-ray and neutron diffraction, magnetometry, and polarized neutron scattering measurements. We find that the samples, labeled S1 and S2, have the composition Li 1–x Ni 0.9+x–y Mn y Co 0.1 O 2 , with x = 0.025(2), y = 0.120(2) for S1 and x = 0.002(2), y = 0.094(2) for S2, corresponding to different concentrations of magnetic ions and excess Ni 2+ in the Li + layers. Both samples show a peak in the zero-field-cooled (ZFC) dc susceptibility at 8.0(2) K, but the temperature at which the ZFC and FC (field-cooled) curves deviate is substantially different: 64(2) K for S1 and 122(2) K for S2. The ac susceptibility measurements show that the transition for S1 shifts with frequency whereas no such shift is observed for S2 within the resolution of our measurements. Our results demonstrate the sample dependence of magnetic properties in Li NMC 811, consistent with previous reports on the parent material LiNiO 2 . Here, we further establish that a combination of experimental techniques is necessary to accurately determine the chemical composition of next-generation battery materials with multiple cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

The light-ion trough, the main trough, and the plasmapause.

Although the plasmapause has been detected as a global phenomenon by both VLF and ion composition measurements, the electron and ion density troughs have been identified primarily as nightside features. This problem, as well as the difficulty in explaining various inconsistencies in relating the position of the plasmapause and the ionization trough, is explained by a close examination of the ion composition, generally unavailable in previous trough studies. In particular, ion composition results from the polar-orbiting Ogo satellites identify the persistence of a pronounced light-ion trough (LIT) in H(+) and He(+), often identified by order-of-magnitude decreases in the light-ion concentrations, that occurs within a few degrees of latitude and reaches residual concentration levels of 100 to 1000 ions/cu cm near 60 deg dipole latitude. The LIT, observed both within the thermosphere and at high latitudes in the magnetosphere, has been correlated directly with the VLF whistler identification of the plasmapause.

Taylor, H. A., Jr.↗
NASA NTRS1971

A New All Solid State Approach to Gaseous Pollutant Detection

Recent efforts in our laboratories have concentrated on the development of an all solid state gas sensor, by combining solid electrolyte (ion exchange membrane) technology with advanced thin film deposition processes. With the proper bias magnitude and polarity these miniature electro-chemical,cells show remarkable current responses for many common pollution gases. Current activity is now focused on complementing a multiple array (matrix) of these solid state sensors, with a digital electronic scanner device possessing "scan-compare-identify-alarm: capability. This innovative approach to multi-component pollutant gas analysis may indeed be the advanced prototype for the "third generation" class of pollution analysis instrumentation so urgently needed in the decade ahead.

Brown, V.↗
NASA NTRS1995

Investigation of the role of gravity waves in the generation of equatorial bubbles

The following areas of interest in this progress report are: (1) the continuation of software development in the examination of F-region gravity-wave power using in-situ data from the Atmosphere Explorer (AE-E); (2) the inquiry into the use of the San Marco data for the study of the initiation and growth of bubbles, particularly when the satellite passes through the early evening hours at relatively high altitudes, and the development of bubbles using not only the San Marco data but includes the use of airglow observations made in Hawaii; and (3) the promising development in the observation of distinct well formed waves at about 400 km altitude in the equatorial region. These waves look very much like waves seen over the polar cap that are attributed to internal gravity waves in the neutral atmosphere driving ionization up and down the magnetic field lines. These equatorial waves show no modulation of the total ion concentration.

Johnson, Francis S.↗
NASA NTRS1996

Dopant Incorporation Efficiency in CVD Silicon Carbide Epilayers

In order to ensure reproducible and reliable SiC semiconductor device characteristics, controlled dopant incorporation must be accomplished. Some of the many factors which greatly influence dopant incorporation are the site-competition effect, SiC(0001) substrate polarity, substrate temperature, and the dopant-source reactor concentration. In this paper, dopant incorporation is considered and compared for various dopants in the context of dopant incorporation efficiency. By using secondary ion mass spectrometry (SIMS), the relative dopant incorporation efficiencies were calculated by dividing the SIMS determined dopant concentration in the resulting epitaxial layer by the intentional gas phase dopant concentration used during the SiC CVD. Specifically, the relative magnitudes of dopant incorporation efficiencies for nitrogen, phosphorus, and boron in 6H-SiC (0001) Si-face epitaxial layers are compared as a function of the site-competition effect and the dopant-source reactor concentrations. This serves as a first approximation for comparison of the relative 'doping potencies' of some common dopants used in SiC CVD epitaxial growth.

Larkin, D. J.↗
DOE OSTI2022

Static and Dynamic Gradient Based Directional Transportation of Neutral Molecules in Swollen Polymer Films

Abstract Materials which selectively transport molecules offer powerful opportunities for concentrating and separating chemical agents. Here, utilizing static and dynamic chemical gradients, transport of molecules within swollen crosslinked polymers is demonstrated. Using an ≈200 μm static hydroxyl to hexyl gradient, the neutral ambipolar nerve agent surrogate diethyl (cyanomethyl)phosphonate (DECP) is directionally transported and concentrated 60‐fold within 4 hours. To accelerate transport kinetics, a dynamic gradient (a “travelling wave”) is utilized. Here, the non‐polar dye pyrene was transported. The dynamic gradient is generated by an ion exchange process triggered by the localized introduction of an aqueous NaCl solution, which converts the gel from hydrophobic to hydrophilic. As the hydrophilic region expands, associated water enters the gel, and pyrene is pushed ahead of the expansion front. The dynamic gradient provides about 10‐fold faster transport kinetics than the static gradient.

Ali, Mohammad A.↗
NASA NTRS1979

Decay of the zincate concentration gradient at an alkaline zinc cathode after charging

The transport of the zincate ion to the alkaline zinc cathode was studied by observing the decay of the zincate concentration gradient at a horizontal zinc cathode after charging. This decay was found to approximate first order kinetics as expected from a proposed boundary layer model. The concentrations were calculated from polarization voltages. The decay half life was shown to be a linear function of the thickness of porous zinc deposit on the cathode indicating a very rapid transport of zincate through porous zinc metal. The rapid transport is attributed to an electrochemical mechanism. From the linear dependence of the half life on the thickness the boundary layer thickness was found to be about 0.010 cm when the cathode was at the bottom of the cell. No significant dependence of the boundary layer thickness on the viscosity of electrolyte was observed. The data also indicated a relatively sharp transition between the diffusion and convection transport regions. When the cathode was at the top of the cell, the boundary layer thickness was found to be roughly 0.080 cm. The diffusion of zincate ion through asbestos submerged in alkaline electrolyte was shown to be comparable with that predicted from the bulk diffusion coefficient of the zincate ion in alkali.

Kautz, H. E.↗
NASA NTRS1976

Spectroscopic studies and analysis of the laser states of Nd/3+/ in YVO4

Polarized absorption and dye-laser excited fluorescence spectra of Nd/3+/ in the Y(3+) site of yttrium orthovanadate at 85 and 300 K are presented and analyzed. The absence of allowed transitions and the unusual concentration of line strength into one transition in pi polarization within a given line group is shown by the Judd-Ofelt theory to be a consequence of the D2d symmetry of the site and ion placements in the unit cell. An energy level scheme giving level positions, level identities, and observed transitions is presented. The principal laser line in this group at about 10640.9 A was found to be predominately pi polarized and to have a cross section of 30 x 10 to the 19th/sq cm, which is 4.6 times larger than the laser transition of Nd/3+/ in YAG.

Pappas Yaney, P.↗
DOE OSTI2022

Ion Separations Based on Spontaneously Arising Streaming Potentials in Rotating Isoporous Membranes

Highly selective ion separations are vital for producing pure salts, and membrane-based separations are promising alternatives to conventional ion-separation techniques. Our previous work demonstrated that simple pressure-driven flow through negatively charged isoporous membranes can separate Li+ and K+ with selectivities as high as 70 in dilute solutions. The separation mechanism relies on spontaneously arising streaming potentials that induce electromigration, which opposes advection and separates cations based on differences in their electrophoretic mobilities. Although the separation technique is simple, this work shows that high selectivities are possible only with careful consideration of experimental conditions including transmembrane pressure, solution ionic strength, the K+/Li+ ratio in the feed, and the extent of concentration polarization. Separations conducted with a rotating membrane show Li+/K+ selectivities as high as 150 with a 1000 rpm membrane rotation rate, but the selectivity decreases to 1.3 at 95 rpm. These results demonstrate the benefits and necessity of quantitative control of concentration polarization in highly selective separations. Increases in solution ionic strength or the K+/Li+ feed ratio can also decrease selectivities more than an order of magnitude.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Unraveling the pathway towards superionic transport in polymer electrolytes

Ionic transport in polymers is critical for Li-ion batteries, fuel cells, flow batteries and many other energy storage and conversion technologies. A significant enhancement of ion conductivity in polymers may be achieved through an increase in the polarity of side chains and their self-organization into specific morphologies, which can potentially act as percolated ionic structures. However, higher polarity increases attractive interactions within a polymer matrix and slows down its segmental dynamics, which conversely hinders ionic transport. To overcome this tradeoff, we designed the functionalization of a Li salt-doped polymer matrix by tailored amounts of zwitterionic (ZI) groups. Our results suggest the emergence of a self-assembled percolation conductivity regime above a specific ZI concentration, in which ion hopping decouples from segmental dynamics by up to ten orders of magnitude. Consequently, in the highly concentrated ZI regime, our polymeric materials exhibit in their glassy state energy barriers for ion hopping similar to, or even smaller than, those reported for superionic ceramics. Our study also reveals that ion dynamics in the poly(zwitterion) with all monomers carrying ZI groups is significantly faster than that of a monomeric ZI compound, although the latter has much faster structural relaxation. Furthermore, this result highlights the crucial role played by the local morphology on the ion transport of polymer electrolytes and opens a new pathway for the design of superionic polymers, significantly expanding the current limited portfolio of solid-state electrolytes for energy applications.

Ion conductivity↗
DOE OSTI2025

Ferro-ionic states and domains morphology in Hf x Zr 1–x O 2 nanoparticles

Unique polar properties of nanoscale hafnia-zirconia oxides (Hf x Zr 1–x O 2 ) are of great interest for condensed matter physics, nanophysics, and advanced applications. These properties are connected (at least partially) to the ionic–electronic and electrochemical phenomena at the surface, interfaces, and/or internal grain boundaries. Here, we calculated the phase diagrams, dielectric permittivity, spontaneous polar, and antipolar ordering, as well as the domain structure morphology in Hf x Zr 1–x O 2 nanoparticles covered by ionic–electronic charge originating from surface electrochemical adsorption. We revealed that the ferro-ionic coupling supports the polar long-range order in nanoscale Hf x Zr 1–x O 2 , induces, and/or enlarges the stability region of the labyrinthine domains toward smaller sizes and smaller environmental dielectric constant at low concentrations of the surface ions. The ferro-ionic coupling causes the transition to the single-domain ferro-ionic state at high concentrations of the surface ions. We predict that the labyrinthine domain states, being multiple-degenerated, may significantly affect the emergence of the negative differential capacitance state in the nanograined/nanocrystalline Hf x Zr 1–x O 2 films.

36 MATERIALS SCIENCE↗
NASA NTRS1995

The pinhole interface for IMS/MS

An important supplementary technique for ion mobility spectrometry (IMS) is mass spectrometry (MS). A mass spectrometer coupled to an ion mobility spectrometer (IMS/MS) can provide significant information on the composition of the ions contributing to an ion mobility peak. On the other hand, the interpretation of IMS/MS results requires knowledge of processes which can occur at the pinhole interface. When the ion composition is a mixture of ion clusters, the observed cluster distribution may not be an accurate representation of the ion clusters in the IMS. Depending on the buffer gas, lower clusters can form by equilibrating with reduced concentrations in the continuum regime of the expansion and larger clusters can form by collisional stabilization in the cooled jet stream. Besides water, nitrogen molecules can also add to the ion clusters. Even though nitrogen is non-polar, this addition is made possible by an ion-induced dipole interaction between the ion and molecule.

Spangler, Glenn E.↗
DOE OSTI2022

Beyond Simple Dilution: Superior Conductivities from Cosolvation of Acetonitrile/LiTFSI Concentrated Solution with Acetone

Concentrated solutions of Li salts in acetonitrile are promising alternative electrolytes for the next generation of Li batteries as they may exhibit superior electrochemical properties. However, the reduced mobility of the chemical species is a barrier yet to be overcome, and for this, we explore the utilization of acetone as a cosolvent. Although acetone is a polar compound, we find that its addition to the LiTFSI/acetonitrile solution does not follow the trends expected for a simple dilution process. At a low concentration, acetone subtly shifts acetonitrile from the first to extended solvation sheaths of the ions. Still, most of the original structure of the solution is preserved, and mobile high-concentration clusters are formed in the solution. At higher concentrations, the cosolvation promotes cation–anion interactions but with a different nature from those in the original solution and still allows for a further increase in conductivity. Additionally, the non-coordinating fraction of acetonitrile acquires features resembling the pure solvent, which is a possible additional facilitating factor for ionic diffusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Exploring Charged Defects in Ferroelectrics by the Switching Spectroscopy Piezoresponse Force Microscopy

Monitoring the charged defect concentration at the nanoscale is of critical importance for both the fundamental science and applications of ferroelectrics. However, up-to-date, high-resolution study methods for the investigation of structural defects, such as transmission electron microscopy, X-ray tomography, etc., are expensive and demand complicated sample preparation. Here, with an example of the lanthanum-doped bismuth ferrite ceramics, a novel method is proposed based on the switching spectroscopy piezoresponse force microscopy (SSPFM) that allows probing the electric potential from buried subsurface charged defects in the ferroelectric materials with a nanometer-scale spatial resolution. When compared with the composition-sensitive methods, such as neutron diffraction, X-ray photoelectron spectroscopy, and local time-of-flight secondary ion mass spectrometry, the SSPFM sensitivity to the variation of the electric potential from the charged defects is shown to be equivalent to less than 0.3 at% of the defect concentration. Additionally, the possibility to locally evaluate dynamics of the polarization screening caused by the charged defects is demonstrated, which is of significant interest for further understanding defect-mediated processes in ferroelectrics.

42 ENGINEERING↗