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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Electrical properties and water incorporation in A-site deficient perovskite La{sub 1−x}Ba{sub x}Nb{sub 3}O{sub 9−0.5x}

Barium doped A-site deficient perovskites La{sub 1−x}Ba{sub x}Nb{sub 3}O{sub 9−0.5x} (x=0–0.05) were synthesized by the solid state method, their structure, electrical properties and state of oxygen-hydrogen groups have been investigated. These phases were found to be able to incorporate water from the gas phase and to exhibit proton transport. Hydration is accompanied by the formation of different forms of oxygen-hydrogen groups: OH{sup −} – groups and H{sub 3}O{sup +} – ions. The total conductivities of doped samples increased in a wet atmosphere due to the appearance of proton current carriers (at the temperatures below 700 °C), but the conductivity increased insignificantly (~0.25 order of magnitude) because of a low doping level and, consequently, small concentration of protons. TG-measurements confirmed relatively low water content (below 0.2%). The total conductivity depends substantially on x and exhibits a minimum on σ−f(x) dependencies. It has been suggested that such behavior is a manifestation of a mixed cation effect. - Highlights: • Barium doped perovskites La{sub 1−x}Ba{sub x}Nb{sub 3}O{sub 9−0.5x} (x=0–0.05) are capable to incorporate water from the gas phase and to exhibit proton transport. • The hydration is accompanied by the formation of OH{sup −} – groups and H{sub 3}O{sup +} – ions. • The total conductivity exhibits a minimum on σ−f(x) dependencies as a result of a mixed cation effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Tip-Enhanced Raman Nanographs of Plasmonic Silver Nanoparticles

Tip-Enhanced Raman Scattering (TERS) from plasmonic silver nanoparticles traces spatial variations in optical fields defined by the interaction of the plasmonic probe with nanoscale topographic features that are characteristic of crystalline particles. This is demonstrated through correlated atomic force microscopy (AFM)-TERS imaging of ~100 nm silver nanoparticles coated with 4-mercaptobenzonitrile (MBN) molecules. In effect, the recorded spectral images are sensitive to the 3D topographic makeup of the particle and broadcast local optical fields that vary over a few nanometers length scale.

Bhattarai, Ashish↗
DOE OSTI2014

Interface-assisted molecular spintronics

Molecular spintronics, a field that utilizes the spin state of organic molecules to develop magneto-electronic devices, has shown an enormous scientific activity for more than a decade. But, in the last couple of years, new insights in understanding the fundamental phenomena of molecular interaction on magnetic surfaces, forming a hybrid interface, are presenting a new pathway for developing the subfield of interface-assisted molecular spintronics. The recent exploration of such hybrid interfaces involving carbon based aromatic molecules shows a significant excitement and promise over the previously studied single molecular magnets. In the above new scenario, hybridization of the molecular orbitals with the spin-polarized bands of the surface creates new interface states with unique electronic and magnetic character. This study opens up a molecular-genome initiative in designing new handles to functionalize the spin dependent electronic properties of the hybrid interface to construct spin-functional tailor-made devices. Through this article, we review this subject by presenting a fundamental understanding of the interface spin-chemistry and spin-physics by taking support of advanced computational and spectroscopy tools to investigate molecular spin responses with demonstration of new interface phenomena. Spin-polarized scanning tunneling spectroscopy is favorably considered to be an important tool to investigate these hybrid interfaces with intra-molecular spatial resolution. Finally, by addressing some of the recent findings, we propose novel device schemes towards building interface tailored molecular spintronic devices for applications in sensor, memory, and quantum computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Fibre laser based on tellurium-doped active fibre

We have studied the lasing properties of tellurium-doped germanosilicate fibre, identified its gain and excited-state absorption bands, and assessed the effect of cooling to low temperature (77 K) on the bands. The excitation spectrum of the near-IR luminescence in the fibre has been measured. Lasing at 1.55 mm has been demonstrated for the first time in this gain medium at liquidnitrogen temperature and pump wavelengths of 1.064 and 1.085 mm. The measured Raman spectrum of the fibre provides some insight into the structure of the near-IR luminescence centre. (letters)

36 MATERIALS SCIENCE↗
DOE OSTI2021

Graviton chirality and topological order in the half-filled Landau level

The fractional quantum Hall state at the Landau level filling factor 5/2 is extremely interesting because it is likely the first non-Abelian state, but its precise nature remains unclear after decades of study. Here we demonstrate this can be resolved by studying the chirality of its graviton excitations, using circularly polarized Raman scattering. We discuss the advantage of this bulk probe over the existing edge probes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Symmetry Breaking and Ascending in the Magnetic Kagome Metal FeGe

Spontaneous symmetry breaking—the phenomenon in which an infinitesimal perturbation can cause the system to break the underlying symmetry—is a cornerstone concept in the understanding of interacting solid-state systems. In a typical series of temperature-driven phase transitions, higher-temperature phases are more symmetric due to the stabilizing effect of entropy that becomes dominant as the temperature is increased. However, the opposite is rare but possible when there are multiple degrees of freedom in the system. Here, we present such an example of a symmetry-ascending phenomenon upon cooling in a magnetic kagome metal FeGe by utilizing neutron Larmor diffraction and Raman spectroscopy. FeGe has a kagome lattice structure with simple A-type antiferromagnetic order below Néel temperature T N ≈ 400 K and a charge density wave (CDW) transition at T CDW ≈ 110 K , followed by a spin-canting transition at around 60 K. In the paramagnetic state at 460 K, we confirm that the crystal structure is indeed a hexagonal kagome lattice. On cooling to around T N , the crystal structure changes from hexagonal to monoclinic with in-plane lattice distortions on the order of 10 − 4 and the associated splitting of the double-degenerate phonon mode of the pristine kagome lattice. Upon further cooling to T CDW , the kagome lattice shows a small negative thermal expansion, and the crystal structure gradually becomes more symmetric upon further cooling. A tendency of increasing the crystalline symmetry upon cooling is unusual; it originates from an extremely weak structural instability that coexists and competes with the CDW and magnetic orders. These observations are against the expectations for a simple model with a single order parameter and hence can only be explained by a Landau free energy expansion that takes into account multiple lattice, charge, and spin degrees of freedom. Thus, the determination of the crystalline lattice symmetry as well as the unusual spin-lattice coupling is a first step towards understanding the rich electronic and magnetic properties of the system, and it sheds new light on intertwined orders where the lattice degree of freedom is no longer dominant. Published by the American Physical Society 2024

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Best estimate of the planetary boundary layer height from multiple remote sensing measurements

Remote sensing measurements have been widely used to estimate the planetary boundary layer height (PBLHT). Each remote sensing approach offers unique strengths and faces different limitations. In this study, we use machine learning (ML) methods to produce a best-estimate PBLHT (PBLHT-BE-ML) by integrating four PBLHT estimates derived from remote sensing measurements at the Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) observatory. Three ML models – random forest (RF) classifier, RF regressor, and light gradient-boosting machine (LightGBM) – were trained on a dataset from 2017 to 2023 that included radiosonde, various remote sensing PBLHT estimates, and atmospheric meteorological conditions. Evaluations indicated that PBLHT-BE-ML from all three models improved alignment with the PBLHT derived from radiosonde data (PBLHT-SONDE), with LightGBM demonstrating the highest accuracy under both stable and unstable boundary layer conditions. Feature analysis revealed that the most influential input features at the SGP site were the PBLHT estimates derived from (a) potential temperature profiles retrieved using Raman lidar (RL) and atmospheric emitted radiance interferometer (AERI) measurements (PBLHT-THERMO), (b) vertical velocity variance profiles from Doppler lidar (PBLHT-DL), and (c) aerosol backscatter profiles from micropulse lidar (PBLHT-MPL). The trained models were then used to predict PBLHT-BE-ML at a temporal resolution of 10 min, effectively capturing the diurnal evolution of PBLHT and its significant seasonal variations, with the largest diurnal variation observed over summer at the SGP site. We applied these trained models to data from the ARM Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE) field campaign (EPC), where the PBLHT-BE-ML, particularly with the LightGBM model, demonstrated improved accuracy against PBLHT-SONDE. Analyses of model performance at both the SGP and EPC sites suggest that expanding the training dataset to include various surface types, such as ocean and ice-covered areas, could further enhance ML model performance for PBLHT estimation across varied geographic regions.

Zhang, Damao [Pacific Northwest National Laborator↗
NASA NTRS1987

Initial turbulence effect on jet evolution with and without tonal excitation

The effect of initial turbulence level on the development of a jet and on the susceptability of the jet to discrete tone excitation was experimentally investigated. Turbulence intensity was varied, over the range 0.15 to 5 percent, by using screens and grids placed upstream of an 8.8 cm diameter nozzle. Top-hat mean velocity profiles with approximately identical initial boundary layer states were ensured in all cases; the turbulence spectra were broadband. It was found, contrary to earlier reports, that the natural jet decay remained essentially unchanged for varying initial turbulence. For a fixed amplitude of the tonal excitation, increasing the initial turbulence damped out the growth of the instability wave; as a result, the excitability, assessed from the mean velocity decay on the axis, was found to diminish. However, the degree of damping in the amplification of the instability wave was only slight compared to the large increase in the initial turbulence. The jet with 5 percent turbulence could be measurably altered by excitation with a velocity perturbation amplitude as little as 0.25 percent of the jet velocity. The amplitude effect data indicate an upper bound of the extent to which a jet could be excited, and thus its plume shortened, by the plane wave, single frequency excitation. An additional data set with no grid or trip, yielding a nominally laminar boundary layer, re-emphasizes the profound effect of initial boundary layer state on jet evolution as well as on its excitability. This jet decayed the fastest naturally, and consequently, it was the least excitable in spite of its turbulence being the least.

Raman, G.↗
NASA NTRS1987

Initial turbulence effect on jet evolution with and without tonal excitation

The effect of initial turbulence level on the development of a jet and on the susceptibility of the jet to discrete tone excitation was experimentally investigated. Turbulence intensity was varied, over the range 0.15 to 5 percent, by using screens and grids placed upstream of an 8.8 cm diameter nozzle. Top-hat mean velocity profiles with approximately identical initial boundary layer states were ensured in all cases; the turbulence spectra were broadband. It was found, contrary to earlier reports, that the natural jet decay remained essentially unchanged for varying initial turbulence. For a fixed amplitude of the tonal excitation, increasing the initial turbulence damped out the growth of the instability wave; as a result, the excitability, assessed from the mean velocity decay on the axis, was found to diminish. However, the degree of damping in the amplification of the instability wave was only slight compared to the large increase in the initial turbulence. The jet with 5 percent turbulence could be measurably altered by excitation with a velocity perturbation amplitude as little as 0.25 percent of the jet velocity. The amplitude effect data indicate an upper bound of the extent to which a jet could be excited, and thus its plume shortened, by the plane wave, single frequency excitation. An additional data set with no grid or trip, yielding a nominally laminar boundary layer, re-emphasizes the profound effect of initial boundary layer state on jet evolution as well as on its excitability. This jet decayed the fastest naturally, and consequently, it was the least excitable in spite of its turbulence being the least.

Raman, G.↗
DOE OSTI2015

Structural, dielectric and magnetic properties of nickel substituted cobalt ferrite nanoparticles: Effect of nickel concentration

Nickel substituted cobalt ferrite nanoparticles with composition Co{sub 1−x}Ni{sub x}Fe{sub 2}O{sub 4} (0.0 ≤ x ≤ 1.0) was synthesized using simple, low temperature auto combustion method. The X-ray diffraction patterns reveal the formation of cubic phase spinel structure. The crystallite size varies from 30-44 nm with the nickel content. Porous and agglomerated morphology of the bulk sample was displayed in the scanning electron microscopy. Micro Raman spectroscopy reveals continuous shift of E{sub g} and E{sub g}(2) stokes line up to 0.8 Ni substitution. The dispersion behavior of the dielectric constant with frequency and the semicircle nature of the impedance spectra show the cobalt nickel ferrite to have high resistance. The ferromagnetic nature is observed in all the samples, however, the maximum saturation magnetization was achieved by the 0.4 Ni substituted cobalt ferrite, which is up to the 92.87 emu/gm at 30K.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Combining XRD and Raman spectroscopy techniques to probe the solid solution and composite forms of Pb1-xCoxTiO3 systems

Highlights: • Pb{sub 1-x}Co{sub x}TiO{sub 3} system was produced by solid state reaction. • Co concentration determines the formation of solid solution or composite. • The atomic substitutions directly affect the Curie temperature. - Abstract: Raman scattering and XRD data allied to Rietveld refinement were used to investigate the structural and vibrational properties of Pb{sub 1-x}Co{sub x}TiO{sub 3} samples with x ranging from 0.0 to 1.0. The results showed reductions in the tetragonallity factor and in the wavenumber of E(1TO) soft mode in the interval between x = 0.0 (c/a = 1.063 and E(1TO) = 89 cm{sup −1}) and x = 0.2 (c/a = 1.042 and E(1TO) = 81 cm{sup −1}). These parameters present a partial recovery for x > 0.4. Quantitative phase analyses combined with SEM indicate the formation of a solid solution for x less than 0.2 and composite formation of PbTiO{sub 3} and CoTiO{sub 3} for x higher than 0.2. From the temperature-induced softening of the E(1TO) mode, it was investigated the effect of the atomic substitution on the PbTiO{sub 3} Curie temperature, showing a minimum at 720 K (x ∼ 0.4) compared to 763 K (x = 0).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Synthesis, Electronic Properties and Reactivity of [B 12 X 11 (NO 2 )] 2– (X=F–I) Dianions

Nitro-functionalized undecahalogenated closo-dodecaborates [B 12 X 11 (NO 2 )] 2– were synthesized in high purities and characterized by NMR, IR, and Raman spectroscopy, single crystal X-diffraction, mass spectrometry, and gas-phase ion vibrational spectroscopy. The NO 2 substituent leads to an enhanced electronic and electrochemical stability compared to the parent perhalogenated [B 12 X 12 ] 2– (X=F–I) dianions evidenced by photoelectron spectroscopy, cyclic voltammetry, and quantum-chemical calculations. The stabilizing effect decreases from X=F to X=I. Thermogravimetric measurements of the salts indicate the loss of the nitric oxide radical (NO . ). The homolytic NO . elimination from the dianion under very soft collisional excitation in gas-phase ion experiments results in the formation of the radical [B 12 X 11 O] 2–. . Theoretical investigations suggest that the loss of NO . proceeds via the rearrangement product [B 12 X 11 (ONO)] 2– . The O-bonded nitrosooxy structure is thermodynamically more stable than the N-bonded nitro structure and its formation by radical recombination of [B 12 X 11 O] 2–. and NO . is demonstrated.

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

Fe-carbide/Fe-oxide-based nanocomposites synthesized as magnetic nanomaterials via laser ablation synthesis in solution (LASiS)

Magnetic nanostructured materials (MNMs) have gained prominence in materials technology developments owing to their potential biomedical applications for hyperthermia cancer treatment, and transplant organ cryopreservation. Herein, we report the facile and cost-effective synthesis of Fe-based composite MNMs, comprising both Fe@Fe 2 O 3 and Fe 3 C@C core-shell nanoparticles (NPs), via Laser Ablation Synthesis in Solution (LASiS) using Fe targets ablated under acetone and toluene. Detailed materials characterizations using electron microscopy-based imaging, diffraction studies, and spectroscopic analyses - including Raman and Mössbauer spectroscopy - relate the structure-composition properties for different Fe-oxide/carbide phases in the aforesaid MNMs to their respective magnetic responses. Specifically, we confirm the presence of ultra-small (2–10 nm) amorphous Fe-oxide NPs, as well as Fe@Fe 2 O 3 core-shell NPs (20–40 nm) in the samples synthesized by ablating Fe under acetone. In contrast, samples synthesized under toluene indicate a higher concentration of Fe 3 C@C core-shell NPs (20–40 nm) with a relatively low concentration of Fe 2 O 3 NPs (2–10 nm). Furthermore, the crystallinity of the metallic phases and carbonaceous shell coatings are systematically increased by carrying out LASiS under heated toluene (up to ~95 °C). Importantly, mössbauer spectroscopy results indicate that the elevation in toluene temperature leads to an increase in the concentrations of Fe 3 C@C NPs from ~40 % to ~53 % (at.).

36 MATERIALS SCIENCE↗
DOE OSTI2018

A Critical Review of Existing Criteria for the Prediction of Pyrochlore Formation and Stability

Depending on intrinsic (e.g., radius ratio rule r Ln / r Zr ) and extrinsic factors (e.g., processing conditions), pyrochlore-type Ln 2 Zr 2 O 7 oxides achieve variable degrees of structural disorder. In this paper we report on a systematic study of the structural and microstructural characteristics of the Gd 2– x Ln x Zr 2 O 7 system, exploring the effect of replacing Gd with a wide range of homovalent lanthanide ions (Ln = Nd, Sm, Dy, Ho, Y, and Er; x = 0.20 and 0.80). All compositions were prepared via a mechanochemical reaction between the corresponding oxides and characterized by X-ray diffraction (standard and synchrotron sources) using the Rietveld method, as well as by Raman spectroscopy. Irrespective of chemical composition, this study reveals that all compositions exhibit a fluorite-like structure. Furthermore, by firing each sample at 800 and 1400 °C, we are able to analyze the transition to pyrochlore-like structures, featuring different degrees of disorder, in all but Gd 1.20 Y 0.80 Zr 2 O 7 , which retains the fluorite structure even after heating. The structural data are used to assess the existing criteria for predicting the formation and stability of the pyrochlore structure; according to this analysis, the simple radius ratio rule ( r Ln / r Zr ), provides a useful and sufficiently robust criterion. Because the pyrochlore structure has a strong tendency to disorder, it is not possible to define an empirical index similar to the Goldschmidt tolerance factor for perovskite.

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

Sputter-Coated TiO 2 Films as Passivation and Hole Transfer Layers for Improved Energy Conversion with Solar Fuel WO 3 /CuWO 4 Photoanodes

Atomic layer deposited (ALD) “leaky” TiO 2 have gained interest as charge-selective protection layers for semiconductor solar fuel electrodes. Here we demonstrate the use of sputter-deposited TiO 2 layers as hole selective contacts for WO 3 /CuWO 4 type 2 heterojunction water oxidation photoanodes for the first time. TiO 2 protection layers with varying thicknesses (2 to 128 nm) were deposited using the RF magnetron sputtering technique. The resulting TiO 2 films are amorphous based on Raman spectroscopy and powder XRD. Photoelectrochemical scans and Vibrating Kelvin probe photovoltage spectroscopy show that 2-8 nm TiO 2 layers nearly double the photocurrent to 0.97 mA cm -2 under AM 1.5 illumination (19% AQE at 350 nm), increase the surface photovoltage signal by 25%, and increase the WO 3 /CuWO 4 bandgap. These effects can be attributed to the selectivity of TiO 2 for photoholes. Additionally, SPV data suggest that TiO 2 overlayers suppress copper-based surface recombination defects. Reduced photocurrent and the photovoltage are seen in thicker TiO 2 films (16 to 128 nm) as a result of an increasing hole transfer resistance and because of light shading effects according to photoaction spectra. The TiO 2 films also improve the stability of the WO 3 /CuWO 4 photoelectrodes, allowing nearly constant O 2 evolution over 3 hours after an initial 20-35% loss. Overall, this work establishes RF magnetron sputtering as a useful method to install amorphous TiO 2 passivation layers for improved WO 3 /CuWO 4 solar fuel photoelectrodes. Furthermore, we show how the combination of PEC with SPV measurements provides insight into the function of the TiO 2 coatings.

CuWO4↗
DOE OSTI2024

A Carbonyl and Azo-Based Polymer Cathode for Low-Temperature Na-Ion Batteries

Due to flexible structure tunability and abundant structure diversity, redox-active polymers are promising cathode materials for developing affordable and sustainable Na-ion batteries (NIBs). However, polymer cathodes still suffer from low capacity, poor cycle life, and sluggish reaction kinetics. Herein, we designed and synthesized a polymer cathode material bearing carbonyl and azo groups as well as extended conjugation structures in the repeating units. The polymer cathode exhibited exceptional electrochemical performance in NIBs in terms of high capacity, long lifetime, and fast kinetics. When coupled with a low-concentration electrolyte, it shows superior performance at low temperatures down to -50 °C, demonstrating great promise for low-temperature battery applications. Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) were employed to study the reaction mechanism, interphase structure, and morphological evolution, confirming reversible redox reactions between azo/carbonyl groups in the polymer and Na + /electrons, a NaF-rich interphase, and high structure stability upon cycling. In conclusion, this work provides an effective approach to developing high-performance polymer cathodes for affordable, sustainable, and low-temperature NIBs.

25 ENERGY STORAGE↗
DOE OSTI2015

Reversible migration of silver on memorized pathways in Ag-Ge{sub 40}S{sub 60} films

Reversible and reproducible formation and dissolution of silver conductive filaments are studied in Ag-photodoped thin-film Ge{sub 40}S{sub 60} subjected to electric fields. A tip-planar geometry is employed, where a conductive-atomic-force microscopy tip is the tip electrode and a silver patch is the planar electrode. We highlight an inherent “memory” effect in the amorphous chalcogenide solid-state electrolyte, in which particular silver-ion migration pathways are preserved “memorized” during writing and erasing cycles. The “memorized” pathways reflect structural changes in the photodoped chalcogenide film. Structural changes due to silver photodoping, and electrically-induced structural changes arising from silver migration, are elucidated using Raman spectroscopy. Conductive filament formation, dissolution, and electron (reduction) efficiency in a lateral device geometry are related to operation of the nano-ionic Programmable Metallization Cell memory and to newly emerging chalcogenide-based lateral geometry MEMS technologies. The methods in this work can also be used for qualitative multi-parameter sampling of metal/amorphous-chalcogenide combinations, characterizing the growth/dissolution rates, retention and endurance of fractal conductive filaments, with the aim of optimizing devices.

36 MATERIALS SCIENCE↗