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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Preparation of magnetic Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} microspheres and their application in photocatalysis

Graphical abstract: Display Omitted Highlights: ► We described the preparation and characterization of the Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} magnetic microspheres composites. ► The photocatalytic activities of the composites were also investigated. ► With the combination of photocatalysts and Fe{sub 3}O{sub 4}/SiO{sub 2}, good stability and magnetic separability can be achieved. ► And to the best of our knowledge, this is the first report concerning Bi{sub 2}WO{sub 6} nanoparticles loaded on Fe{sub 3}O{sub 4}/SiO{sub 2} particles. -- Abstract: Magnetic Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} microspheres with photocatalytic properties have been synthesized using a silica layer for “bonding” (adhering Bi{sub 2}WO{sub 6} to Fe{sub 3}O{sub 4}). The morphology, composition and magnetic properties of the Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} composites were characterized by X-ray diffraction, transmission electron microscopy, Fourier transform infrared spectroscopy, vibrating sample magnetometry, and BET surface area analysis. The activity of the material in photocatalytic decoloration of aqueous rhodamine B (RhB) solution under visible light was evaluated. The results showed that Bi{sub 2}WO{sub 6} combined well with the magnetic Fe{sub 3}O{sub 4}/SiO{sub 2} nanoparticles. The Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} composites were spherical in shape, having a mean size of 2 μm. The spent catalyst could be recycled with only slight decline in catalytic activity. It is envisaged that the stability, reusability, and magnetic nature of the Fe{sub 3}O{sub 4}/SiO{sub 2}/Bi{sub 2}WO{sub 6} catalyst warrants its application in photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Combined effect of chemical pressure and valence electron concentration through the electron-deficient Li substitution on the RE{sub 4}LiGe{sub 4} (RE=La, Ce, Pr, and Sm) system

Four members of the RE{sub 4}LiGe{sub 4} (RE=La, Ce, Pr, and Sm) system have been prepared by high-temperature reaction method and characterized by X-ray diffractions. All compounds crystallize in the orthorhombic Gd{sub 5}Si{sub 4}-type structure (space group Pnma, Pearson code oP16) with bonding interactions for interslab Ge{sub 2} dimers. The Li substitution for rare-earth elements in the RE{sub 4}LiGe{sub 4} system leads to a combined effect of the increased chemical pressure and the decreased valance electron concentration (VEC), which eventually results in the structure transformation from the Sm{sub 5}Ge{sub 4}-type with all broken interslab Ge–Ge bond for the parental RE{sub 5}Ge{sub 4} to the Gd{sub 5}Si{sub 4}-type structure for the ternary RE{sub 4}LiGe{sub 4} (RE=La, Ce, Pr, and Sm) system. Site-preference between rare-earth metals and Li is proven to generate energetically the most favorable atomic arrangements according to coloring-problem, and the rationale is provided using both the size-factor and the electronic-factor related, respectively, to site-volume and electronegativity as well as QVAL values. Tight-binding, linear-muffin-tin-orbital (TB-LMTO) calculations are performed to investigate electronic densities of states (DOS) and crystal orbital Hamilton population (COHP) curves. The influence of reduced VEC for chemical bonding including the formation of interslab Ge{sub 2} dimers is also discussed. The magnetic property measurements prove that the non-magnetic Li substitution leads to the ferromagnetic (FM)-like ground state for Ce{sub 4}LiGe{sub 4} and the co-existence of antiferromagntic (AFM) and FM ground states for Sm{sub 4}LiGe{sub 4}. - Graphical abstract: Reported is a combined effect of the chemical pressure and the reduced VEC caused by the smaller monovalent non-magnetic Li substitution for the larger trivalent magnetic rare-earth metals in the RE{sub 4}LiGe{sub 4} (RE=La, Ce, Pr, and Sm) system. This results in the structure transformation from the Sm{sub 5}Ge{sub 4}-type to the Gd{sub 5}Si{sub 4}-type structure and the changes in magnetic properties. Display Omitted - Highlights: • Four Li-containing intermetallic compounds RE{sub 4}LiGe{sub 4} (RE=La, Ce, Pr and Sm) were synthesized. • The combined effect of the chemical pressure and the reduced VEC caused by Li substitution for a rare-earth metal results in the structure transformation. • Electronic structures and magnetic properties of title compounds were thoroughly investigated.

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

Realizing Two-Electron Transfer in Ni(OH) 2 Nanosheets for Energy Storage

The theoretical capacity of a given electrode material is ultimately determined by the number of electrons transferred in each redox center. The design of multi-electron transfer processes could break through the limitation of one–electron transfer and multiply the total capacity, but is difficult to achieve because multiple electron transfer processes are generally thermodynamically and kinetically more complex. In this work, we report the discovery of two-electron transfer in monolayer Ni(OH) 2 nanosheets, which contrasts with the traditional one-electron transfer found in multilayer materials. The first-principles calculations predict that the first oxidation process from Ni 2+ →Ni 3+ occurs easily, whereas the second electron transfer from Ni 3+ →Ni 4+ is strongly hindered in multilayer materials by both the interlayer hydrogen bonds and the domain H structure induced by the Jahn-Teller distortion of the Ni 3+ (t 2g 6 e g 1 ) centered octahedra. In contrast, the second electron transfer can easily occur in monolayers because all H’s are fully exposed. Experimentally, the as-prepared monolayer is found to deliver an exceptional redox capacity of ~ 576 mAh/g, nearly two times the theoretical capacity of one-electron processes. In-situ experiments demonstrate that monolayer Ni(OH) 2 can transfer two electrons and mostly transform to Ni 4+ in the charging process, while bulk Ni(OH) 2 can be partially transformed . Our work reveals a new redox reaction mechanism in atomically thin Ni(OH) 2 nanosheets, and suggests a promising path towards tuning the electron transfer numbers to multiply the capacity of the relevant energy storage materials.

25 ENERGY STORAGE↗
DOE OSTI2015

Terahertz-driven linear electron acceleration

The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeVm -1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/proton accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. As a result, these ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Technology for libraries and information centers: A seminar in Greece, Portugal, and Turkey

Information technologies are evolving at a rapid pace in today's world. But the electronic technologies needed to transform today's libraries and information centers into electronic 'libraries without walls', where an end-user has instantaneous access to all the information needed from a desktop workstation, have not yet arrived. Even so, there are many technologies available today that can be applied in the library/information center environment to yield increased productivity. However, not all technologies are right for or successful in every environment. Mission, budget, infrastructure, client profiles, and staff skills are a few of the 'environmental' issues that must be considered when selecting and introducing new technologies into a particular information center. Key technologies used in libraries today are reviewed; it can be used as background for targeting technologies that could be successfully implemented in your own environment to further service goals. Before focusing on a selection of technologies, you must first focus on the strategic goal of your organization. The same technology is not right for every library/information center. An overview of technologies that are readily available and can be applied today is presented.

Cotter, Gladys A.↗
DOE OSTI2020

Mechanistic Insights into Superlattice Transformation at a Single Nanocrystal Level Using Nanobeam Electron Diffraction

Understanding the mechanism and ultimately directing nanocrystal (NC) superlattice assembly and attachment have important implications on future advances in this emerging field. Here, we use 4D-STEM to investigate a monolayer of PbS NCs at various stages of the transformation from a hexatic assembly to a nonconnected square-like superlattice over large fields of view. Maps of nanobeam electron diffraction patterns acquired with an electron microscope pixel array detector (EMPAD) offer unprecedented detail into the 3D crystallographic alignment of the polyhedral NCs. Our analysis reveals that superlattice transformation is dominated by translation of prealigned NCs strongly coupled along the <11n>AL direction and occurs stochastically and gradually throughout single grains. We validate the generality of the proposed mechanism by examining the structure of analogous PbSe NC assemblies using conventional transmission electron microscopy and selected area electron diffraction. Here, the experimental results presented here provide new mechanistic insights into NC self-assembly and oriented attachment.

36 MATERIALS SCIENCE↗
DOE OSTI2016

To study the effect of dopant NiO concentration and duration of calcinations on structural and optical properties of MgO-NiO nanocomposites

In present work Magnesium oxide (MgO) samples were doped with different concentration of Transition metal Nickel Oxide(NiO) by using Chemical co-precipitation method. The doping levels were varied from NiO (5%, 10%, 15%) and all the samples were calcined at 600°C for 4hrs and 8hrs respectively. Structural analysis of these calcined materials is carried out by X-ray diffraction (XRD) techniques which reveals that average crystalline sizes are in nano region i.e. 21.77nm-31.13 nm and tabulated in table 1. The powder of calcined samples were also characterized by using various other techniques i.e. Scanning Electron Microscopy (SEM), Fourier Transformation Infrared Spectroscopy (FTIR), UV-Visible spectroscopy, Transmission Electron Microscopy (TEM) etc. The effects of dopant concentration, calcined temperature, calcinations duration on samples were studied and also investigate the effect of varying dopant concentration on morphology and optical properties of calcined nanomaterials. From results it was observed that the crystallite size of nanocomposites increases with increases dopant concentration or increases calcinations duration. The optical band gap decreases with increases sintering time and increase with increases dopant concentrations. TEM results coincide with XRD results and show that particles are polycrystalline in nature. FTIR spectra show that for all samples particles are pure in composition and transmission rate increases with calcinations duration.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Fock-Space Schrieffer–Wolff Transformation: Classically-Assisted Rank-Reduced Quantum Phase Estimation Algorithm

We present an extension of many-body downfolding methods to reduce the resources required in the quantum phase estimation (QPE) algorithm. In this paper, we focus on the Schrieffer–Wolff (SW) transformation of the electronic Hamiltonians for molecular systems that provides significant simplifications of quantum circuits for simulations of quantum dynamics. We demonstrate that by employing Fock-space variants of the SW transformation (or rank-reducing similarity transformations (RRST)) one can significantly increase the locality of the qubit-mapped similarity-transformed Hamiltonians. The practical utilization of the SW-RRST formalism is associated with a series of approximations discussed in the manuscript. In particular, amplitudes that define RRST can be evaluated using conventional computers and then encoded on quantum computers. The SW-RRST QPE quantum algorithms can also be viewed as an extension of the standard state-specific coupled-cluster downfolding methods to provide a robust alternative to the traditional QPE algorithms to identify the ground and excited states for systems with various numbers of electrons using the same Fock-space representations of the downfolded Hamiltonian. The RRST formalism serves as a design principle for developing new classes of approximate schemes that reduce the complexity of quantum circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Novel Transformer with Variable Leakage and Magnetizing Inductances

This paper introduces the concept of a novel variable inductance transformer (VIT) whose leakage and magnetizing inductances can be varied dynamically and independently to aid the advancement of research in isolated power electronic converters. In this transformer, the leakage inductance can be varied by varying the length of overlap between the primary and secondary windings, while the magnetizing inductance can be varied by varying the air gap between the core legs. Individual controls for the two inductances ensure that one can be varied independent of the other, as needed to satisfy different power conversion objectives. In this paper, the analytical models of the variable leakage and magnetizing inductances are presented. Analytical results are compared with those obtained from Finite Element Method (FEM) and an experimental prototype of a VIT. Analytical solutions of the variable leakage inductance present an error of less than 2.35 % when compared to FEM solutions, while the analytical solutions of the variable magnetizing inductance present a maximum error of 1.82 % when compared to experimental measurements.

image method, leakage inductance, magnetizing indu↗
DOE OSTI2019

Influence of Ce{sup 3+} Ion Doping on Structural and Magnetic Properties of Magnesium Nanoferrite

Pure and rare earth ion Ce{sup 3+}-doped magnesium nanoferrite magnetic particles, i.e., MgFe{sub 2}O{sub 4} and MgCe{sub x}Fe{sub 2−x}O{sub 4} (x = 0.0, 0.025, 0.05, 0.075, and 0.1) were successfully fabricated using sol-gel technique, and qualitative studies were carried out using X-ray diffractometer (XRD), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), high-resolution field-emission scanning electron microscopy (HRFESEM) equipped with energy-dispersive spectroscopy (EDS), vibrating sample magnetometer (VSM), and electron paramagnetic resonance (EPR) techniques. X-ray diffraction analysis confirmed the crystalline phase of the synthesized samples with no extra phase. The crystallite size obtained from W-H plots follow the same trend as calculated using Scherrer method, and the strain decreases with increasing Ce{sup 3+} ion concentration indicating a lesser number of deformities. FTIR spectra revealed the shifting of lower-frequency band to the higher side with the larger radii Ce{sup 3+} ions. HRFESEM images reveal the reduction in stress on doping. No additional impurities are observed in synthesized samples as is confirmed by EDS analysis. The average particle size obtained by TEM are in agreement with XRD analysis. EPR studies showed an increase in g value and line width with doping. Magnetic measurements carried out at room temperature reveals the value of magnetization initially decreases up to x = 0.05 and afterwards increases with the addition of Ce{sup 3+} ions. These properties reveal superparamagnetic nature of cerium-doped magnesium nanoparticles and can be suitable for catalyst and humidity sensors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Atomic-Scale Dynamic Mechanisms of Embedded MoS 2 Wires

Nanowires composed of a 1:1 stoichiometry of transition metals and chalcogen ions can be fabricated from two-dimensional transition metal dichalcogenides (TMDs) by using electron beam irradiation. Wires fabricated through in situ experiments can be geometrically connected to TMD sheets in various ways, and their physical properties can vary accordingly. Understanding the structural transformation caused by electron beams is critical for designing wire-sheet structures for nanoelectronics. In this study, we report the behavior of nanowires formed inside a monolayer MoS 2 sheet by combining phase-contrast images and large-scale atomistic modeling. Here we investigate the effect of vacancies on the dynamic evolution of wires, such as rotations with different edge structures and breaking, by considering the interactions between MoS wires and MoS 2 nanosheets. The obtained insights can be applied to other monolayer TMDs to guide the behavior of TMD wires and fabricate favorable geometries for various applications.

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

CryoTEN: efficiently enhancing cryo-EM density maps using transformers

Abstract Motivation Cryogenic electron microscopy (cryo-EM) is a core experimental technique used to determine the structure of macromolecules such as proteins. However, the effectiveness of cryo-EM is often hindered by the noise and missing density values in cryo-EM density maps caused by experimental conditions such as low contrast and conformational heterogeneity. Although various global and local map-sharpening techniques are widely employed to improve cryo-EM density maps, it is still challenging to efficiently improve their quality for building better protein structures from them. Results In this study, we introduce CryoTEN—a 3D UNETR++ style transformer to improve cryo-EM maps effectively. CryoTEN is trained using a diverse set of 1295 cryo-EM maps as inputs and their corresponding simulated maps generated from known protein structures as targets. An independent test set containing 150 maps is used to evaluate CryoTEN, and the results demonstrate that it can robustly enhance the quality of cryo-EM density maps. In addition, automatic de novo protein structure modeling shows that protein structures built from the density maps processed by CryoTEN have substantially better quality than those built from the original maps. Compared to the existing state-of-the-art deep learning methods for enhancing cryo-EM density maps, CryoTEN ranks second in improving the quality of density maps, while running >10 times faster and requiring much less GPU memory than them. Availability and implementation The source code and data are freely available at https://github.com/jianlin-cheng/cryoten.

Biochemistry & Molecular Biology↗
NASA NTRS1985

Linear analysis of an axially grooved rectangular gyrotron for harmonic operation

In an axially grooved rectangular waveguide the linearized Vlasov equation is solved to find the perturbed distribution function resulting from the electromagnetic forces on the electrons. The resulting beam current and the propagating electromagnetic waves of the cold tube are used in the inhomogeneous Maxwell's equation to derive the general dispersion equation. This equation is then transformed into the electron beam frame and the resulting linear growth rate of amplification is calculated. By maximizing the linear growth rate, the operational parameters of the gyrotron are then optimized.

Ferendeci, A. M.↗
DOE OSTI2014

Metal-insulator-transition in SrTiO3 induced by argon bombardment combined with field effect

By fabricating the Field-Effect-Transistors on argon bombardment SrTiO3 substrates, not only we have achieved one of the best mobility for Field-Effect-Transistors fabricated on SrTiO3, but also realized strong field induced Metal-Insulator-Transition. The critical sheet resistance for the Metal-Insulator-Transition is only 1/7 of the value obtained in the former experiments, indicating a different mechanism. Further study shows that the Metal-Insulator-Transition can be attributed to the oxygen vacancies formed after the bombardment becoming the electron donor under the electric field modulation, increasing SrTiO3 surface electron density and transforming the substrate into metallic state.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Imaging and Segmenting Grains and Subgrains Using Backscattered Electron Techniques

We present two new methods of processing data from backscattered electron signals in a scanning electron microscope to image grains and subgrains. The first combines data from multiple backscattered electron images acquired at different specimen geometries to (1) better reveal grain boundaries in recrystallized microstructures and (2) distinguish between recrystallized and unrecrystallized regions in partially recrystallized microstructures. The second utilizes spherical harmonic transform indexing of electron backscatter diffraction patterns to produce high angular resolution orientation data that enable the characterization of subgrains. Subgrains are produced during high-temperature plastic deformation and have boundary misorientation angles ranging from a few degrees down to a few hundredths of a degree. Here, we also present an algorithm to automatically segment grains from combined backscattered electron image data or grains and subgrains from high angular resolution electron backscatter diffraction data. Together, these new techniques enable rapid measurements of individual grains and subgrains from large populations.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Structural characterization of nickel oxide/hydroxide nanosheets produced by CBD technique

Graphical abstract: SEM images of (a) as deposited β-Ni(OH)2 and (b) NiO samples deposited with pH 10 solution. The inset figures shows the absorbance spectra of (a) β-Ni(OH)2 and (b) NiO samples. - Highlights: • The formation of β-Ni(OH){sub 2} and NiO were confirmed with XRD, SEM, FT-IR and Raman. • Porous nickel oxide was synthesized after heat treatment of nickel hydroxide. • The increase in pH value changes the nanoflake structure to hexagonal nanosheet. • On increasing the pH from 8 to 11, the band gap decreases from 3.52 to 3.37 eV. - Abstract: Nickel hydroxide samples were deposited onto glass substrates using Ni(NO{sub 3}){sub 2}·6H{sub 2}O and aqueous ammonia by chemical bath deposition technique. The influence of pH of solution was investigated by means of X-ray diffraction, field emission scanning electron microscopy, Fourier transform infrared, Raman spectroscopy, optical absorption and BET analysis. The as-deposited samples were identified as β-Ni(OH){sub 2}, were transformed into NiO after heat treatment in air at 500 °C for 2 h. Porous nickel oxide nanosheets are obtained by heating nickel hydroxide nanosheets. The optical transitions observed in the absorbance spectra below optical band gap is due to defects or Ni{sup 2+} vacancies in NiO samples. The band gap energy of NiO samples changes between 3.37 and 3.52 eV depending on the pH values.

77 NANOSCIENCE AND NANOTECHNOLOGY↗