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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Characterization and pulse-shape discrimination of a multi-stacked structure of ZnS: Ag/PMMA for fast-neutron detection in high-flux environments

The Micro-Layered Fast Neutron Detector (MLFD) is a proton-recoil scintillator that incorporates the basic concept of a Hornyak button detector with an improved design using a layered structure of ZnS:Ag and PMMA (polymethyl methacrylate). The MLFD was predicted to have low sensitivity to gamma rays, hence pulse shape discrimination was performed to determine the gamma-ray contribution. Presented in this paper are the pulse-shape discrimination characteristics of the MLFD. Additionally, the charge integration technique was employed to discriminate between the neutrons and gamma rays using a fast digitzer. The MLFD was found to exhibit excellent neutron/gamma-ray discrimination, with the highest Figure-of-Merit (FoM) being 4.56. With PSD, the neutron signal is distinct from gamma-ray, Ĉerenkov and electronic noise signals. This clear separation was achieved due to the large differences in decay times of the neutron and gamma-ray-induced pulses in the ZnS:Ag phosphor. The MLFD can be employed in high gamma-ray exposure fields, up to at least 1287.7 mR/hr, without appreciable degradation in PSD performance.

47 OTHER INSTRUMENTATION↗
NASA NTRS1990

Aircraft measurements of the mean and turbulent structure of marine stratocumulus clouds during FIRE

The mean and turbulent structure of marine stratocumulus clouds is defined from data that were collected from 10 flights made with the National Center for Atmospheric Research (NCAR) Electra during the First ISCCP Regional Experiment (FIRE). The number of cases sampled is sufficiently large that researchers can compare the boundary layer structure obtained (1) for solid and broken cloud conditions, (2) for light and strong surface wind conditions, (3) for different sea-surface temperatures, and (4) on day and night flights. Researchers will describe the cloud and synoptic conditions present at the time of the Electra flights and show how those flights were coordinated with the operations of other aircraft and with satellite overpasses. Mean thermodynamic and wind profiles and the heat, moisture, and momentum fluxes obtained from data collected during these flights will be compared. Variations in the cloud-top structure will be quantified using LIDAR data collected during several of the Electra flights. The spatial structure of cloud-top height and the cloud-base height will be compared with the turbulent structure in the boundary layer as defined by spectra and cospectra of the wind, temperature, and moisture.

Albrecht, Bruce A.↗
NASA NTRS1990

Coherent structure induced pressure fluctuations in an elliptic jet

The fluctuating pressure near an M = 0.5 elliptic jet was examined. Layered structures of the pressure field were found. Just outside of the jet edge, the pressure is mainly produced by the passing vortices. A short distance away from this layer, the pressure fluctuations originating from the end of the potential core become dominant and are the source of the far field noise.

Schreck, S.↗
DOE OSTI2020

Synthesis, modular composition, and electrochemical properties of lamellar iron sulfides

Transition metal chalcogenides with layered structures are promising materials for energy storage, catalysis, and electronics, among other areas. We have identified a new layered phase of iron sulfide containing interlayer solvated cations. We present an optimized synthesis for the Li + -containing material from an Fe(III) xanthate complex. Structure and composition data indicate the material consists of poorly-ordered iron sulfide layers separated by solvated cations. The lamellar spacing in these materials can be tuned by changing the identity of the cation. Furthermore, the lamellar spacing can also be reversibly tuned by the degree of solvation of the material. The material is electrically conductive and can serve as a pseudocapacitor with comparable performance to commercial materials such as MnO 2 . Finally, these materials also show promise as lithium or sodium ion battery cathodes with good capacity and reversibility.

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

High‐Performance Rechargeable Lithium‐Chlorine Batteries with ALD Conformal Starburst Porous Graphene Positive Electrodes

Abstract Rechargeable alkali metal‐chlorine batteries are emerging as a promising high‐energy‐density solution. However, they confront significant challenges, including the primary issue stemming from the weak binding affinity of cathode materials for Cl 2 , which leads to a sluggish and inadequate supply of Cl 2 during the redox reactions, resulting in a shortened cycle life and low Coulombic efficiency (CE), particularly when operating at ultrahigh specific capacity outputs. Herein, an Al 2 O 3 ‐skinned heterostructured starburst porous graphene with conformal metasurfaces (Al 2 O 3 @rGO) is reported, crafted from a hierarchical porous starburst graphene arranged in a unique layered structure by the PTFE microemulsion skin effect, leveraging subsequent fluidized bed atomic layer deposition (FBALD) of Al 2 O 3 groups. Al 2 O 3 @rGO features superhydrophilicity, effective adsorption, fast kinetics from stable dynamic respiratory interface, high electrical and thermal conductivity anisotropy, intelligent thermal management and safe operation over a wide temperature range. Consequently, the Li‐Cl 2 @Al 2 O 3 @rGO battery achieves an ultrahigh discharge specific capacity of 5000 mAh g −1 at ≈100% CE, and even delivers stable cycling over 200 cycles with 2000 mAh g −1 at an average CE of 99.8% under low temperature environment of ‐40 °C. The scalable heterostructure approach offers a sustainable perspective of the development of functionalized metamaterials and metasurfaces for next‐generation safe and energy‐dense batteries and broader applications.

Chemistry↗
DOE OSTI2019

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Abstract Two novel lithium nickel boride polymorphs, RT ‐LiNiB and HT ‐LiNiB, with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized by a hydride route with LiH as the lithium source. Unique among the known ternary transition‐metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers composed of Ni hexagonal rings with a B–B pair at the center. A comprehensive study using a combination of single crystal/synchrotron powder X‐ray diffraction, solid‐state 7 Li and 11 B NMR spectroscopy, scanning transmission electron microscopy, quantum‐chemical calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors for exfoliation studies, thus paving a way toward two‐dimensional transition‐metal borides, MBenes.

Gvozdetskyi, Volodymyr↗
DOE OSTI2019

Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs

Abstract Two novel lithium nickel boride polymorphs, RT ‐LiNiB and HT ‐LiNiB, with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized by a hydride route with LiH as the lithium source. Unique among the known ternary transition‐metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers composed of Ni hexagonal rings with a B–B pair at the center. A comprehensive study using a combination of single crystal/synchrotron powder X‐ray diffraction, solid‐state 7 Li and 11 B NMR spectroscopy, scanning transmission electron microscopy, quantum‐chemical calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors for exfoliation studies, thus paving a way toward two‐dimensional transition‐metal borides, MBenes.

Gvozdetskyi, Volodymyr↗
DOE OSTI2019

Surface Characteristics and Hardness Variations in Electrical Discharge Machining of Enhanced Nitrogen in Vanadium Steels

Enhanced nitrogen in steels containing vanadium causes fine precipitates of vanadium nitride, which improve the hardenability properties. However, understanding the response of such steels to electrical discharge machining (EDM) is incomplete and needs further investigation. Therefore, EDM of enhanced nitrogen in steels containing vanadium was compared with a similar compositional steel that was free of nitrogen. The surface morphology, microstructural alterations, microhardness variation, and compositional depth profiling of the samples machined by EDM in oil and deionized water dielectric liquids were examined. Microscopic studies were carried out using optical and scanning electron microscopy. Phases were identified by X-ray diffractometry, and elemental depth profiling was performed using glow discharge optical emission spectroscopy. The hardness of the resolidified and heat-affected layers was measured using a Vickers type microhardness tester. The results of this study revealed that the dissolved nitrogen in steel decreased the probability of surface cracks and resulted in a softer resolidified layer structure when machining in the oil dielectric liquid. Thus, the presence of nitrogen reduced the formation of tension-induced martensite in the resolidified layer. Moreover, the heat-affected zone below the resolidified layer exhibited a uniform and harder structure, compared with the steel without nitrogen content, indicating the fast nature of the thermal cycles in EDM. The free nitrogen in steel did not dissociate during sparking; therefore, precipitation strengthening occurred in the heat-affected zone.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Understanding the Role of Temperature and Cathode Composition on Interface and Bulk: Optimizing Aluminum Oxide Coatings for Li-Ion Cathodes

Here, surface coating of cathode materials with Al 2 O 3 has been shown to be a promising method for cathode stabilization and improved cycling performance at high operating voltages. However, a detailed understanding on how coating process and cathode composition changes the chemical composition, morphology and distribution of coating within cathode interface and bulk lattice, is still missing. In this study, we use a wet-chemical method to synthesize a series of Al 2 O 3 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 and LiCoO 2 cathodes treated under various annealing temperatures and a combination of structural characterization techniques to understand the composition, homogeneity and morphology of coating layer and the bulk cathode. Nuclear magnetic resonance and electron microscopy results reveal that the nature of the interface is highly depended on the annealing temperature and cathode composition. For Al 2 O 3 -coated LiNi 0.5 Co 0.2 Mn 0.3 O 2 , higher annealing temperature leads to more homogeneous and more closely attached coating on cathode materials, corresponding to better electrochemical performance. Lower Al 2 O 3 coating content is found to be helpful to further improve the initial capacity and cyclability, which can greatly outperform the pristine cathode material. For Al 2 O 3 -coated LiCoO 2 , the incorporation of Al into the cathode lattice is observed after annealing at high temperatures, implying the transformation from “surface coatings” to “dopants”, which is not observed for LiNi 0.5 Co 0.2 Mn 0.3 O 2 . As a result, Al 2 O 3 -coated LiCoO 2 annealed at higher temperature shows similar initial capacity but lower retention compared to that annealed at a lower temperature, due to the intercalation of surface alumina into the bulk layered structure forming a solid solution.

25 ENERGY STORAGE↗
DOE OSTI2025

Ultrahigh-pressure crystallographic passage towards metallic hydrogen

The structural evolution of molecular hydrogen H 2 under multi-megabar compression and its relation to atomic metallic hydrogen is a key unsolved problem in condensed-matter physics. Although dozens of crystal structures have been proposed by theory, only one, the simple hexagonal-close-packed (hcp) structure of only spherical disordered H 2 , has been previously confirmed in experiments. Through advancing nano-focused synchrotron X-ray probes, here we report the observation of the transition from hcp H 2 to a post-hcp structure with a six-fold larger supercell at pressures above 212 GPa, indicating the change of spherical H 2 to various ordered configurations. Theoretical calculations based on our XRD results found a time-averaged structure model in the space group $P\bar{6}2c$ with alternating layers of spherically disordered H 2 and new graphene-like layers consisting of H 2 trimers (H 6 ) formed by the association of three H 2 molecules. Here, this supercell has not been reported by any previous theoretical study for the post-hcp phase, but is close to a number of theoretical models with mixed-layer structures. The evidence of a structural transition beyond hcp establishes the trend of H 2 molecular association towards polymerization at extreme pressures, giving clues about the nature of the molecular-to-atomic transition of metallic hydrogen. Considering the spectroscopic behaviours that show strong vibrational and bending peaks of H 2 up to 400 GPa, it would be prudent to speculate the continuation of hydrogen molecular polymerization up to its metallization.

Ji, Cheng [Center for High Pressure Science and Te↗
NASA NTRS1987

The stellar seismology of hot white dwarfs and planetary nebula nuclei

The pulsation properties of hot white dwarfs make it possible to determine their mass, surface composition, rotation, and rate of evolution, and provide constraints on their internal structure. Period spacings are sensitive measures of stellar mass and indicate surface layer structure. Measurement of the rate of period change for these stars provide a way to determine their cooling rates. Attention is also given to how well (or poorly) models of excitation of the pulsations fit within current models of planetary nebula nuclei and hot white dwarfs.

Kawaler, Steven D.↗
NASA NTRS1994

Deformation of the total ozone content field in the tropical zone

Presented are the ozone investigation results obtained in the tropical zone. Measurements of the total ozone content (TOC) were carried out by the ozonometer M-124. The ozonometer was automated to investigate the ozone intradiurnal variations and to increase precision of the TOC measurements. Obtained results allowed us to follow the effect of tropical cyclones (TC) on the TOC field. Several days before the TC formation the TOC increase is observed in daily mean course compared with the background one. Three types of trend can be singled out in the TOC intradiurnal course: zero, parabolic, quasi-linear. Maximum velocities of a trend are observed some days before the TC formation. Analogous harmonic constituents are mainly presented as spectrum of daily means of ozone, mean and absolute velocities of trend and dispersion as well as spectra of meteorological, hydrometeorological and actinometric values. Revealed is a number of day-to-day ozone variations concerned with large-scale circulations; moisture content in the atmosphere. Obtained are the data about short-period ozone waves (period less than a day). Thin-film silver sensors were used to measure the vertical ozone distribution (VOD). Atmospheric aerosol and VOD measurements were carried out simultaneously, they gave data of the VOD layered structure, where the VOD local minima coincided with the position of aerosol layers' maxima.

Vasilyev, Victor I.↗
DOE OSTI2018

Pressure-induced reversible phase transition on Mo 2 Ga 2 C

The newly carbide α-Mo 2 Ga 2 C with P63/mmc space group presents a unique top-packed Ga double layer structure. Pressure-induced phase transition of Mo 2 Ga 2 C has been investigated by in-situ high-pressure synchrotron radiation X-ray diffraction, Raman spectroscopy combined with diamond anvil cell technique, and first-principle calculations. Both experimental and theoretical results show that a first-order phase transition from P6 3 /mmc to P3¯m1 occurs at ~22 GPa, where the high-pressure phase named β-Mo 2 Ga 2 C has a close-packed Ga double layer zig-zag structure. The isothermal pressure-volume relationship of Mo 2 Ga 2 C is described by the second-order Birch-Murnaghan equation of state, yielding K 0 = 139(2) GPa, K 0 ' = 4(fixed), and V 0 = 144.5(1) Å3 for α-Mo 2 Ga 2 C; K 0 = 187(3) GPa, K 0 ' = 4(fixed), and V 0 = 137.9(2) Å 3 for β-Mo 2 Ga 2 C. The instability caused by the repulsive force between the Ga atoms in the top-packed double-layer under pressure mainly accounts for the phase transition. In conclusion, the newly discovered β-Mo 2 Ga 2 C reveals that the MAX-like M 2 A 2 X type ternary compounds with different compositions may form various structures with different space groups.

58 GEOSCIENCES↗
NASA NTRS1972

Fine structure of the lower atmosphere as seen by high resolution radar

A ground-based vertically pointing FM-CW radar is described that permits remote probing of the refractive index structure in the troposphere. The radar has the characteristics of extremely high sensitivity, ultrahigh range resolution, and close minimum detection range without clutter. The sounder routinely detects layer structures in the lower troposphere. These layers are always associated with gradients in the vertical refractive index profile, and are frequently very thin, approaching the resolution of the radar (1 m). Very often they are perturbed by wave motions. Examples of various wave patterns are presented, and an explanation is given for organized substructures frequently superimposed on larger scale wave motions.

Richter, J. H.↗
DOE OSTI2025

Proximity ferroelectricity in wurtzite heterostructures

Proximity ferroelectricity is an interface-associated phenomenon in electric-field-driven polarization reversal in a non-ferroelectric polar material induced by one or more adjacent ferroelectric materials. Here, in this paper, we report proximity ferroelectricity in wurtzite ferroelectric heterostructures. In the present case, the non-ferroelectric layers are AlN and ZnO, whereas the ferroelectric layers are Al 1−x B x N, Al 1−x Sc x N and Zn 1−x Mg x O. The layered structures include nitride–nitride, oxide–oxide and nitride–oxide stacks that feature two-layer (asymmetric) and three-layer (symmetric) configurations. Ferroelectric switching in both layers is validated by multimodal characterization methods, including polarization hysteresis, anisotropic chemical etching, second harmonic generation, piezo response force microscopy, electromechanical testing and atomic resolution polarization orientation imaging in real space by scanning transmission electron microscopy. We present a physical switching model in which antipolar nuclei originate in the ferroelectric layer and propagate towards the internal non-ferroelectric interface. The domain wall leading edge produces elastic and electric fields that extend beyond the interface at close proximity, reducing the switching barrier in the non-ferroelectric layer, and allowing complete domain propagation without breakdown. Density functional theory calculations of polymorph energies, reversal barriers and domain wall energies support this model. Proximity ferroelectricity enables polarization reversal in wurtzites without the chemical or structural disorder that accompanies elemental substitution, opening new questions and opportunities regarding interface-based ferroelectricity.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Molten Salts-Driven Discovery of a Polar Mixed-Anion 3D Framework at the Nanoscale: Zn 4 Si 2 O 7 Cl 2 , Charge Transport and Photoelectrocatalytic Water Splitting

Mixed-anion compounds widen the chemical space of attainable materials compared to single anionic compounds, but the exploration of their structural diversity is limited by common synthetic paths. Especially, oxychlorides rely mainly on layered structures, which suffer from low stability during photo(electro)catalytic processes. Herein we report a strategy to design a new polar 3D tetrahedral framework with composition Zn 4 Si 2 O 7 Cl 2 . We use a molten salt medium to enable low temperature crystallization of nanowires of this new compound, by relying on tetrahedral building units present in the melt to build the connectivity of the oxychloride. These units are combined with silicon-based connectors from a non-oxidic Zintl phase to enable precise tuning of the oxygen content. This structure brings high chemical and thermal stability, as well as strongly anisotropic hole mobility along the polar axis. These features, associated with the ability to adjust the transport properties by doping, enable to tune water splitting properties for photoelectrocatalytic H 2 evolution and water oxidation. This work then paves the way to a new family of mixed-anion solids

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Formation of carbon and oxygen rich surface layer on high purity magnesium by atmospheric carbon dioxide plasma

Carbon and oxygen-rich corrosion barrier layer formed on Mg by a simple and scalable CO 2 atmospheric plasma (CO 2 -AP) process. The reactive CO 2 -AP interacts with the Mg surface and forms a unique layered structure with the top MgCO 3 /MgO-intermixed particulates pillars and the bottom dense layer. The surface features were simultaneously formed on the nano-/micro-structured MgO layer by carbonate molecules, plasma-active CO 2 molecules, and/or other volatile organic compounds on the nano-/micro-structured MgO particle layer. The resulting surfaces after CO 2 -AP were either hydrophobic or hydrophilic and exhibited lower anodic current or high resistance for Mg corrosion. For the hydrophobic surfaces of CO 2 -AP treated Mg, molecular dynamic simulations were performed to understand the origin of hydrophobicity and identified that the amorphous carbon layers formed on the Mg surface are the source. The environmentally benign abundant-gas-based process enables the cost reduction associated with waste treatment, generation of by-product, and supply of raw material.

36 MATERIALS SCIENCE↗