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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Rationalizing the photophysical properties of BODIPY laser dyes via aromaticity and electron-donor-based structural perturbations

The absorption and fluorescence properties of six boron dipyrromethene (BODIPY) laser dyes with simple non-aromatic substituents are rationalized by relating them to observable structural perturbations within the molecules of the dyes. An empirical relationship involving the structure and the optical properties is derived using a combination of single-crystal X-ray diffraction data, quantum chemical calculations and electronic constants: i.e. the tendency of the pyrrole bond lengths towards aromaticity and the UV-vis absorption and fluorescence wavelengths correlating with the electron-donor properties of the substituents. The effect of molecular conformation on the solid-state optical properties of the dyes is also discussed. The findings in this study also demonstrate the usefulness and limitations of using crystal structure data to develop structure-property relationships in this class of optical materials, contributing to the growing effort to design optoelectronic materials with tunable properties via molecular engineering.

absorption↗
DOE OSTI2019

Simultaneous detection of neoclassical tearing mode and electron cyclotron current drive locations using electron cyclotron emission in DIII-D

Accurate real-time measurements of magnetic island and electron cyclotron current drive (ECCD) locations are essential for efficient suppression of the neoclassical tearing mode (NTM). To identify these locations, many control systems rely on motional Stark effect constrained equilibria reconstruction and real-time Thomson scattering with TORBEAM current drive evaluation and therefore require time-intensive cross-calibration of at least two different diagnostics. Here we present a simpler, proof-of-concept analysis that uses only a single diagnostic (a radial array electron cyclotron emission radiometer) for the simultaneous determination of both the radial position of a magnetic island and the deposition location of ECCD. Measurements are compared with the modified Rutherford equation to demonstrate the effect of ECCD alignment on NTM suppression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Theoretical study of the electronic, thermodynamic, and thermo-conductive properties of y-LiAlO2 with 6Li isotope substitutions for tritium production

Lithium aluminate has attracted researchers’ interests due to its wide applications. The structural, electronic, optical, lattice phonon thermodynamic, and thermo-conductive properties of ?-LiAlO2 with 6Li-isotope substitution are investigated by density functional theory and lattice phonon dynamics. The calculated results show that ?-LiAlO2 possesses a wide band-gap of 4.63 eV. The valence band is mainly formed by p orbitals of Li, O, and Al. The calculated lattice thermal conductivity of ?-LiAlO2 is found to be in good agreement over a wide range of temperatures with the available experimental data. The calculated dielectric matrix shows anisotropic behavior along z and x (or y) axes. Due to the wide band-gap, the optical conductivity of ?-LiAlO2 is mainly contributed from the electron hopping between valence-conduction bands. Substitution of 7Li with 6Li isotope in ?-LiAlO2 leads to observable differences in the lattice phonon frequencies at higher frequencies (>8THz) and to slight changes in corresponding thermal conductivity and the infrared and Raman spectra which are in good agreement with the measured data. The relevance of these properties for tritium production through 6Li absorbing neutron in nuclear reactors is discussed.

ab initio thermodynamics, ?-LiAlO2 and 6Li-isotope↗
DOE OSTI2017

Modular focusing ring imaging Cherenkov detector for electron–ion collider experiments

A powerful new electron-ion collider (EIC) has been recommended in the 2015 Long Range Plan for Nuclear Science for probing the partonic structure inside nucleons and nuclei with unprecedented precision and versatility [1]. EIC detectors are currently under development [2], all of which require hadron identification over a broad kinematic range. A prototype ring imaging Cherenkov detector has been developed for hadron identification in the momentum range from 3 GeV/c to 10 GeV/c. The key feature of this new detector is a compact and modular design, achieved by using aerogel as radiator and a Fresnel lens for ring focusing. In this paper, the results from a beam test of a prototype device at Fermilab are reported.

aerogel↗
DOE OSTI2018

Electron acceleration through two successive electron beam driven wakefield acceleration stages

Structure based wakefield acceleration may provide a viable approach for accelerating sufficiently large numbers of electrons and positrons at the high gradient needed to meet the luminosity, efficiency, and cost requirements of a future linear collider. An important step in proving its viability is the demonstration of acceleration in multiple stages. Here we show the results of the first experimental demonstration of staged two beam wakefield acceleration, conducted at the Argonne Wakefield Accelerator Facility (AWA), in which a 0.5 nC electron bunch gained equal amounts of energy in two stages (~2.4 MeV per stage, corresponding to an average acceleration gradient of ~70 MeV/m). Meanwhile 150MeV/m of acceleration in a single stage has been achieved. The demonstration experiment should be scalable to staged-acceleration at gradients of the order of 200 to 300 MeV/m. Furthermore, such a development would considerably reduce both the cost and footprint of both a future high-energy physics (HEP) collider, as well as future X-ray light sources.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Identification of a millisecond isomeric state in 129Cd81via the detection of internal conversion and Compton electrons

The decay of an isomeric state in the neutron-rich nucleus 129Cd has been observed via the detection of internal conversion and Compton electrons providing first experimental information on excited states in this nucleus. The isomer was populated in the projectile fission of a 238U beam at the Radioactive Isotope Beam Factory at RIKEN. From the measured yields of γ-rays and internal conversion electrons, a multipolarity of E 3 was tentatively assigned to the isomeric transition. A half-life of T1/2=3.6(2) msT1/2=3.6(2) ms was determined for the new state which was assigned a spin of (21/2+)(21/2+), based on a comparison to shell model calculations performed using state-of-the-art realistic effective interactions.

Isomeric decays↗
DOE OSTI2015

Iterative reconstruction of magnetic induction using Lorentz transmission electron tomography

Intense ongoing research on complex nanomagnetic structures requires a fundamental understanding of the 3D magnetization and the stray fields around the nano-objects. 3D visualization of such fields offers the best way to achieve this. Lorentz transmission electron microscopy provides a suitable combination of high resolution and ability to quantitatively visualize the magnetization vectors using phase retrieval methods. In this paper, we present a formalism to represent the magnetic phase shift of electrons as a Radon transform of the magnetic induction of the sample. Using this formalism, we then present the application of common tomographic methods particularly the iterative methods, to reconstruct the 3D components of the vector held. We present an analysis of the effect of missing wedge and the limited angular sampling as well as reconstruction of complex 3D magnetization in a nanowire using simulations.

Phatak, C.↗
DOE OSTI2017

Foreword for the special issue on the Tenth International Workshop on Low Energy Electron Microscopy and Photoemission Electron Microscopy

The Tenth International Workshop on Low Energy Electron Microscopy and Photoemission Electron Microscopy (LEEM/PEEM-10) was hosted in Monterey, California on September 11–15, 2016. This Workshop marked the 18th anniversary of the LEEM/PEEM series. The inaugural LEEM Workshop was organized by Ernst Bauer, the inventor of LEEM, and was held 1998 in Tempe, Arizona, USA. Since then this biennial series of meetings was held in locations rotating between America, Asia and Europe. The workshop series is designed to review the status of LEEM, PEEM, SPLEEM, XPEEM and related techniques, and to promote and disseminate applications of cathode lens microscopy to a broad audience of interested scientists. Highlighting the most recent scientific advances and instrumental developments, the LEEM/PEEM-10 meeting was attended by 114 researchers from 17 countries and featured sessions discussing new results on properties of surfaces, thin films, organic films, as well as surface chemistry, magnetism, time resolved methods and instrumental advances and novel applications of LEEM and PEEM to other subject areas.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Comparison of dislocation characterization by electron channeling contrast imaging and cross-correlation electron backscattered diffraction

In this paper, the relative capabilities and limitations of electron channeling contrast imaging (ECCI) and cross-correlation electron backscattered diffraction (CC-EBSD) have been assessed by studying the dislocation distributions resulting from nanoindentation in body centered cubic Ta. Qualitative comparison reveals very similar dislocation distributions between the CC-EBSD mapped GNDs and the ECC imaged dislocations. Approximate dislocation densities determined from ECC images compare well to those determined by CC-EBSD. Nevertheless, close examination reveals subtle differences in the details of the distributions mapped by these two approaches. Finally, the details of the dislocation Burgers vectors and line directions determined by ECCI have been compared to those determined using CC-EBSD and reveal good agreement.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Measurement Error in Atomic-Scale Scanning Transmission Electron Microscopy—Energy-Dispersive X-Ray Spectroscopy (STEM-EDS) Mapping of a Model Oxide Interface

Abstract With the development of affordable aberration correctors, analytical scanning transmission electron microscopy (STEM) studies of complex interfaces can now be conducted at high spatial resolution at laboratories worldwide. Energy-dispersive X-ray spectroscopy (EDS) in particular has grown in popularity, as it enables elemental mapping over a wide range of ionization energies. However, the interpretation of atomically resolved data is greatly complicated by beam–sample interactions that are often overlooked by novice users. Here we describe the practical factors—namely, sample thickness and the choice of ionization edge—that affect the quantification of a model perovskite oxide interface. Our measurements of the same sample, in regions of different thickness, indicate that interface profiles can vary by as much as 2–5 unit cells, depending on the spectral feature. This finding is supported by multislice simulations, which reveal that on-axis maps of even perfectly abrupt interfaces exhibit significant delocalization. Quantification of thicker samples is further complicated by channeling to heavier sites across the interface, as well as an increased signal background. We show that extreme care must be taken to prepare samples to minimize channeling effects and argue that it may not be possible to extract atomically resolved information from many chemical maps.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Transmission Electron Microscopy Studies of Electron-Selective Titanium Oxide Contacts in Silicon Solar Cells

Abstract In this study, the cross-section of electron-selective titanium oxide (TiO 2 ) contacts for n -type crystalline silicon solar cells were investigated by transmission electron microscopy. It was revealed that the excellent cell efficiency of 21.6% obtained on n -type cells, featuring SiO 2 /TiO 2 /Al rear contacts and after forming gas annealing (FGA) at 350°C, is due to strong surface passivation of SiO 2 /TiO 2 stack as well as low contact resistivity at the Si/SiO 2 /TiO 2 heterojunction. This can be attributed to the transformation of amorphous TiO 2 to a conducting TiO 2- x phase. Conversely, the low efficiency (9.8%) obtained on cells featuring an a-Si:H/TiO 2 /Al rear contact is due to severe degradation of passivation of the a-Si:H upon FGA.

Materials Science↗
DOE OSTI2021

Net Electronic Charge as an Effective Electronic Descriptor for Oxygen Release and Transport Properties of SrFeO 3 -based Oxygen Sorbents

Perovskite oxides, as oxygen sorbents, exhibit excellent potential in thermochemical redox applications such as chemical looping air separation (CLAS), resulting from their excellent redox properties and high tunability. The structural and compositional flexibility of perovskites, while making these mixed oxides highly versatile, also poses challenges for their design and optimization. Moreover, the elevated operating temperature and dynamic oxygen partial pressure swings during redox processes add additional complications for oxygen sorbent design. From a fundamental standpoint, finding simple yet effective descriptors for the effect of cation substitutions on oxygen sorbents’ redox and oxygen transport properties are of significant importance for rational optimization of perovskite-based oxygen sorbents. In the present study, a series of A/B-site-doped SrFeO 3-δ perovskites are investigated using density functional theory (DFT) + U simulations. From these simulations, an effective electronic structural descriptor, the net electronic charge (Δe) of oxygen anions, is extracted based on its excellent correlations with vacancy formation energy, experimentally derived oxygen capacity, and oxygen vacancy migration barrier. Overall, these findings provide an effective tool to correlate the oxygen sorbents’ redox performances with a simple yet physically meaningful descriptor for rational design and optimization of perovskites in the context of CLAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗