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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Gap state related blue light emitting boron-carbon core shell structures

Boron-carbon core shell structures have been synthesized by solvo-thermal synthesis route. The synthesized material is highly pure. X-ray diffraction analysis confirms the reduction of reactants in to boron and carbon. Scanning Electron Microscopy (SEM) analysis showed that the shell is uniform with average thickness of 340 nm. Photo luminescence studies showed that the material is blue light emitting with CIE color coordinates: x=0.16085, y=0.07554.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Electron microscopy analyses and electrical properties of the layered Bi{sub 2}WO{sub 6} phase

The bismuth tungstate Bi{sub 2}WO{sub 6} was synthesized using a classical coprecipitation method followed by a calcination process at different temperatures. The samples were characterized by X-ray diffraction, simultaneous thermogravimetry and differential thermal analysis (TGA/DTA), scanning and transmission electron microscopy (SEM, TEM) analyses. The Rietveld analysis and electron diffraction clearly confirmed the Pca2{sub 1} non centrosymmetric space group previously proposed for this phase. The layers Bi{sub 2}O{sub 2}{sup 2+} and WO{sub 4}{sup 2−} have been directly evidenced from the HRTEM images. The electrical properties of Bi{sub 2}WO{sub 6} compacted pellets systems were determined from electrical impedance spectrometry (EIS) and direct current (DC) analyses, under air and argon, between 350 and 700 °C. The direct current analyses showed that the conduction observed from EIS analyses was mainly ionic in this temperature range, with a small electronic contribution. Electrical change above the transition temperature of 660 °C is observed under air and argon atmospheres. The strong conductivity increase observed under argon is interpreted in terms of formation of additional oxygen vacancies coupled with electron conduction. - Graphical abstract: High resolution transmission electron microscopy: inverse fast Fourier transform giving the layered structure of the Bi{sub 2}WO{sub 6} phase, with a representation of the cell dimensions (b and c vectors). The Bi{sub 2}O{sub 2}{sup 2+} and WO{sub 4}{sup 2−} sandwiches are visible in the IFFT image. - Highlights: • Using transmission electron microscopy, we visualize the layered structure of Bi{sub 2}WO{sub 6}. • Electrical analyses under argon gas show some increase in conductivity. • The phase transition at 660 °C is evidenced from electrical modification.

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

Delivery of Conjugated Silicon Dioxide Nanoparticles Show Strong Anti-Proliferative Activities

Conjugation of different molecules is a promising approach to enhance the drug delivery and treatment. In the present study, here, we have synthesized silica oxide (SiO{sub 2}) nanoparticles conjugated with (3-Glycidyloxypropyl) trimethoxysilane (3GPS) and further reacted with 1,2,4-triazole (Tri), 3-aminotriazole (ATri), 5-aminetetrazole (Atet), imidazole (Imi). The structure, size, and morphology of nanocomposite materials were characterized by Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), transmission electron microscopy (TEM), and scanning electron microscopy (SEM) methods. These nanocomposite materials were tested on human colorectal carcinoma cells (HCT-116) to examine their anti-cancer capabilities by using MTT assay and morphometric analysis. Our results revealed that nanocomposite materials decreased cancer cell viability and cell proliferation and caused cell death in a concentration-dependent manner. Our findings demonstrate that SiO{sub 2}-conjugated nanocomposite materials possess strong anti-cancer capabilities and hold a great potential for the colon cancer treatments.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Nanostructured aluminium titanate (Al{sub 2}TiO{sub 5}) particles and nanofibers: Synthesis and mechanism of microstructural evolution

In this study, aluminium titanate (AT) particles and nanofibers were synthesized through citrate sol gel and sol gel-assisted electrospinning methods in both nanostructured powder and nanofiber forms. The results of X-ray diffraction analysis, field-emission scanning electron microscopy and differential thermal analysis showed that the synthetic products benefit a nanostructured nature with a grain size less than 70 nm. The optimal values for time and temperature at which a roughly pure AT is attained were determined as 2 h and 900 °C, respectively. It was found that the sol gel precursor bears an amorphous structure till 700 °C and begins to be crystallized to alumina, anatase and AT at higher temperatures. Moreover, AT tends to decompose into rutile and alumina at temperatures higher than 900 °C and its degradation rate reaches a maximum at temperatures near to 1100 °C. In this synthesis, citric acid was used as a chelating agent for Al{sup 3} {sup +} and Ti{sup 4} {sup +} ions and it was shown that a low citric acid-to-metal cation ratio leads to larger numbers of nuclei during crystallization and smaller grain size. Finally, a model was suggested to describe the microstructural evolution of AT compound based on a nucleation and growth regime. - Graphical abstract: Display Omitted - Highlights: • We synthesized aluminium titanate ceramic in both powder and nanofiber forms. • The methods in use were citrate sol gel and sol gel-assisted electrospinning. • Powders and nanofibers bear a nanostructured nature with a grain size less than 70 nm. • A model is suggested to describe microstructural evolution of synthetic products.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Statistical analysis of MMS observations of energetic electron escape observed at/beyond the dayside magnetopause

Here, observations from the Energetic Particle Detector (EPD) instrument suite aboard the Magnetospheric Multiscale (MMS) spacecraft show that energetic (greater than tens of keV) magnetospheric particle escape into the magnetosheath occurs commonly across the dayside. This includes the surprisingly frequent observation of magnetospheric electrons in the duskside magnetosheath, an unexpected result given assumptions regarding magnetic drift shadowing. The 238 events identified in the 40 keV electron energy channel during the first MMS dayside season that exhibit strongly anisotropic pitch angle distributions indicating monohemispheric field-aligned streaming away from the magnetopause. A review of the extremely rich literature of energetic electron observations beyond the magnetopause is provided to place these new observations into historical context. Despite the extensive history of such research, these new observations provide a more comprehensive data set that includes unprecedented magnetic local time (MLT) coverage of the dayside equatorial magnetopause/magnetosheath. These data clearly highlight the common escape of energetic electrons along magnetic field lines concluded to have been reconnected across the magnetopause. While these streaming escape events agree with prior studies which show strong correlation with geomagnetic activity (suggesting a magnetotail source) and occur most frequently during periods of southward IMF, the high number of duskside events is unexpected and previously unobserved. Although the lowest electron energy channel was the focus of this study, the events reported here exhibit pitch angle anisotropies indicative of streaming up to 200 keV, which could represent the magnetopause loss of >1 MeV electrons from the outer radiation belt.

58 GEOSCIENCES↗
DOE OSTI2015

One-pot pseudomorphic crystallization of mesoporous porous silica to hierarchical porous zeolites

Hierarchically porous silica with mesopore and zeolitic micropore was synthesized via pseudomorphic crystallization under high-temperature hydrothermal treatment in the presence of cetyltrimethylammonium tosylate and tetrapropylammonium ions. A combined characterization using small-angle X-ray diffraction (XRD), nitrogen adsorption, high-resolution transmission electron microscopy (TEM), thermogravimetric analysis (TG), and elemental analysis showed that dual templates, CTA{sup +} and TPA{sup +} molecules, can work in a cooperative manner to synthesize mesoporous zeolite in a one-pot system by precisely tuning the reaction conditions, such as reaction time and temperature, and type and amount of heterometal atoms. It is found that the presence of Ti precursor is critical to the successful synthesis of such nanostructure. It not only retards the nucleation and growth of crystalline MFI domains, but also acts as nano-binder or nano-glue to favor the assembly of zeolite nanoblocks. - Graphical abstract: Display Omitted - Highlights: • A facile method to synthesize mesoporous zeolites with hierarchical porosity was presented. • It gives a new insight into keeping the balance between mesoscopic and molecular ordering in hierarchical porous materials. • A new understanding on the solid–solid transformation mechanism for the synthesis of titanosilicate zeolites was proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

High resolution analysis of three bands of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of N{sub 2}O{sup +} radical: 100-000, 000-001, and 001-001

In this article three vibrational bands of the electronic transition A{sup 2}Σ{sup +}-X{sup 2}Π of the N{sub 2}O{sup +} radical (100-000, 000-001, and 001-001) are analysed through high resolution Fourier transform spectroscopy. The N{sub 2}O{sup +} radical was produced by Penning ionization of N{sub 2}O by colliding with metastable atoms of He(2{sup 3}S) in a reaction chamber. The spectra was recorded in a spectral range of 24 500–30 000 cm{sup −1} and obtained from 200 coadded interferograms recorded at an apodized resolution of 0.08 cm{sup −1}. Through a recursive way, the wavenumbers of the correspondent rotational transitions were reduced into molecular constants, improving the values previously reported. New values for the first vibrational energies ν{sub 1}{sup ′}, ν{sub 3}{sup ″}, and ν{sub 3}{sup ′} are also obtained and compared with previous values reported in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach

The nonadiabatic dynamics of model proton-coupled electron transfer (PCET) reactions is investigated for the first time using a surface-hopping algorithm based on the solution of the mixed quantum-classical Liouville equation (QCLE). This method provides a rigorous treatment of quantum coherence/decoherence effects in the dynamics of mixed quantum-classical systems, which is lacking in the molecular dynamics with quantum transitions surface-hopping approach commonly used for simulating PCET reactions. Within this approach, the protonic and electronic coordinates are treated quantum mechanically and the solvent coordinate evolves classically on both single adiabatic surfaces and on coherently coupled pairs of adiabatic surfaces. Both concerted and sequential PCET reactions are studied in detail under various subsystem-bath coupling conditions and insights into the dynamical principles underlying PCET reactions are gained. Notably, an examination of the trajectories reveals that the system spends the majority of its time on the average of two coherently coupled adiabatic surfaces, during which a phase enters into the calculation of an observable. In general, the results of this paper demonstrate the applicability of QCLE-based surface-hopping dynamics to the study of PCET and emphasize the importance of mean surface evolution and decoherence effects in the calculation of PCET rate constants.

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

Integrated package of electron cyclotron emission imaging data processing and forward modeling in OMFIT

An Electron Cyclotron Emission Imaging (ECEI) data analysis module has been developed for the OMFIT platform to accommodate the needs of users at the DIII-D tokamak for physics applications. The user can easily access the ECEI spatial observation windows in the plasma that are calculated based on the automatically retrieved hardware setup and available DIII-D equilibria, perform spectral analysis, and make 2D electron temperature fluctuation images. The module provides a powerful data post processing package for extracting important physics parameters from the 2D measurements, including the radial structure and poloidal mode number of Alfven Eigenmodes, as well as the frequency-vs-wavenumber dispersion relationship of broadband MHD. Lastly, the module propagates characterized synthetic fluctuations for the user, so one can perform forward modeling tasks with simple analytical fluctuations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Analysis of superfast encoding performance for electronic structure simulations

In our recent work, we examined various fermion-to-qubit mappings in the context of quantum simulation including the original Bravyi-Kitaev superfast encoding (OSE) as well as a generalized version (GSE). We return to OSE and compare it against the Jordan-Wigner (JW) transform for quantum chemistry considering the number of qubits required, the Pauli weight of terms in the transformed Hamiltonians, and the L 1 norm of the Hamiltonian. We considered a test set of molecular systems known as the Atomization Energy 6 (AE6) as well as hydrogen lattices. Our results showed that the resource efficiency of OSE is strongly affected by the spatial locality of the underlying single-particle basis. We find that OSE is outperformed by JW when the orbitals in the underlying single-particle basis are highly overlapping, which limits its applicability to near-term quantum chemistry simulations utilizing standard basis sets. In contrast, when orbitals are overlapping with only few others, as is the case of hydrogen lattices with very tight orbitals, OSE fares comparatively better. Furthermore, our results illustrate the importance of choosing the right combination of basis sets and fermion-to-qubit mapping to get the most out of a quantum device when simulating physical systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Analysis of Shot Noise Suppression for Electron Beams

Shot noise can affect the performance of free-electron lasers (FELs) by driving instabilities (e.g., the microbunching instability) or by competing with seeded density modulations. Recent papers have proposed suppressing shot noise to enhance FEL performance. In this paper we use a one-dimensional (1D) model to calculate the noise amplification from an energy modulation (e.g., electron interactions from space charge or undulator radiation) followed by a dispersive section. We show that, for a broad class of interactions, selecting the correct dispersive strength suppresses shot noise across a wide range of frequencies. The final noise level depends on the beam's energy spread and the properties of the interaction potential. We confirm and illustrate our analytical results with 1D simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Nodal Admittance Matrix Based Area Partition Method for Small-Signal Stability Analysis of Large-Scale Power Electronics Based Power Systems

In power electronics-based power systems (PEPSs), small-signal stability is an important factor for system design and operation, where the impedance-based approach is often used. However, unlike small-scale PEPSs with simple and straightforward impedance models, it would take much more efforts to derive the large-scale PEPSs impedance model, which is very complicated and sometimes may get wrong results due to the elimination of right-half plane (RHP) poles during the impedance aggregation process. To simplify the derivation procedure and analyze the small-signal stability of large-scale PEPSs, this paper proposes a nodal admittance matrix (NAM) based area partition method. In this method, the large-scale PEPS is divided into several sub-areas, and the stability is analyzed within the sub-area first, and then the interconnection stability among these sub-areas is analyzed. The proposed method is scalable and can help to locate the weakest areas/converters that may cause instability in the whole system. In this paper, the concept of the proposed method and its application to an example system are introduced. Experimental results are also given to validate the effectiveness of the proposed method.

Qiao, Liang↗
DOE OSTI2013

Compilation and analysis of charge asymmetry measurements from electron and positron scattering on nucleon and nuclei

World data on the lepton-charge asymmetry in the elastic and inelastic lepton scattering off the proton and nuclei are compiled and discussed. After reviewing the published results, we compare the elastic data to a model calculation of the two-photon-exchange mechanism. We show that the existing data do not provide any evidence for enhancement of the two-photon contribution. At confidence level 95% the data allow to exclude the two-photon exchange as an explanation for the difference between Rosenbluth and polarization transfer measurements of proton electromagnetic form factors.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Chemical and bonding analysis of liquids using liquid cell electron microscopy

Liquid cell transmission electron microscopy (TEM) has become an essential tool for studying the structure and properties of both hard and soft condensed-matter samples, as well as liquids themselves. Liquid cell sample holders, often consisting of two thin window layers separating the liquid sample from the high vacuum of the microscope column, have been designed to control in situ conditions, including temperature, voltage/current, or flow through the window region. While high-resolution and time-resolved TEM imaging probes the structure, shape, and dynamics of liquid cell samples, information about the chemical composition and spatially resolved bonding is often difficult to obtain due to the liquid thickness, the window layers, the holder configuration, or beam-induced radiolysis. Here, we review different approaches to quantitative liquid cell electron microscopy, including recent developments to perform energy-dispersive x-ray and electron energy-loss spectroscopy experiments on samples in a liquid environment or the liquid itself. We also cover graphene liquid cells and other ultrathin window layer holders.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Analysis of harmonically seeded Free-Electron Laser

We revisit Free-Electron Laser (FEL) equations in the presence of a planar undulator to investigate effects on longitudinal FEL dynamics upon seeding by a harmonic for both low-gain and high-gain cases. Then, we extend the FEL equations in 3D to include electron beam emittance and radiation diffraction effects.

43 PARTICLE ACCELERATORS↗