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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Plasmon spectroscopy for the determination of Ti 3 C 2 T x MXene few layer stacks architecture

Like many 2D materials, numerous properties of MXene multilayers, and especially the most popular one Ti 3 C 2 T x , have been shown to significantly depend on their architecture, i.e. the number of layers and interlayer distance. These structural parameters are thus key elements to be characterized for the analysis of MXene properties. Focusing on valence electron energy-loss spectroscopy (VEELS) as performed in a transmission electron microscope (TEM), and using density functional theory (DFT) simulations, we here analyze the layer dependent large changes in the VEEL spectra of Ti 3 C 2 T x multilayers as a probe of their total thickness, and emphasize the bulk plasmon energy sensitivity to interlayer distance. Together these findings allow to directly quantify the absolute number of layers in a Ti 3 C 2 T x stack up to ~10 nm thickness and give access to interlayer distance modifications with sub-angström sensitivity, evidencing VEELS as a powerful method for the characterization of MXene multilayers on the nanometer scale. We expect these results to be relevant for the study of structure/properties correlations in this class of materials, especially with the development of in situ or environmental TEM experiments.

Materials Science↗
DOE OSTI2023

Real-space inversion and super-resolution of ultrafast scattering

Ultrafast scattering using x-rays or electrons is an emerging method to obtain structure dynamics at the atomic lengthscales and timescales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector range and the probe energy. So, as a result, the time-resolved signal interpretation is mostly done in reciprocal space and relies on modeling and simulations of specific structures and processes. Here, we introduce a model-free approach to directly resolve scattering signals in real space, surpassing the diffraction limit, using scattering kernels and signal priors that naturally arise from the measurement constraints. We demonstrate the approach on simulated and experimental data, recover multiple atomic motions at sub-angstrom resolutions, and discuss the recovery accuracy and resolution limits versus signal fidelity. The approach offers a robust path to obtain high-resolution real-space information of atomic-scale structure dynamics using current time-resolved x-ray or electron scattering sources.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Efficient core-excited state orbital perspective on calculating x-ray absorption transitions in determinant framework

X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating and analyzing such spectra are therefore in high demand for complementing experimental results and for extracting valuable insights therefrom. In particular, a recently proposed first-principles approach titled many-body XAS (MBXAS), which approximates the final (initial) state as a Slater determinant constructed from Kohn-Sham (KS) orbitals optimized in the absence (presence) of the relevant core electron has shown promising prospects in evaluating the transition amplitudes. In this article, we show that the MBXAS approach can be rederived using a transition operator expressed entirely in the basis of core-excited state KS orbitals and that this reformulation offers substantial practical and conceptual advantages. In addition to circumventing previous issues of convergence with respect to the number of unoccupied ground-state orbitals, the aforementioned representation reduces the computational expense by rendering the calculation of such orbitals unnecessary altogether. Furthermore, the reformulated approach also provides a direct pathway for comparing the many-body approximation with the so-called single-particle treatment and indicates the relative importance in observed XAS intensity of the relaxation of the valence occupied subspace induced by the core excitation. Finally, using the core-excited state basis, we define auxiliary orbitals for x-ray absorption and demonstrate their utility in explaining the spectral intensity by contrasting them with single-particle approximations to the excited state.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Interface properties and built-in potential profile of a LaCr O 3 / SrTi O 3 superlattice determined by standing-wave excited photoemission spectroscopy

LaCrO 3 (LCO)/SrTiO 3 (STO) heterojunctions are intriguing due to a polar discontinuity along [001], exhibiting two distinct and controllable charged interface structures [(LaO) + /(TiO 2 ) 0 and (SrO) 0 /(CrO 2 ) - ] with induced polarization, and a resulting depth-dependent potential. In this study, we have used soft- and hard-x-ray standing-wave excited photoemission spectroscopy (SW-XPS) to quantitatively determine the elemental depth profile, interface properties, and depth distribution of the polarization-induced built-in potentials. We observe an alternating charged interface configuration: a positively charged (LaO) + /(TiO 2 ) 0 intermediate layer at the LCO top /STO bottom interface and a negatively charged (SrO) 0 /(CrO 2 ) - intermediate layer at the STO top /LCO bottom interface. Using core-level SW data, we have determined the depth distribution of species, including through the interfaces, and these results are in excellent agreement with scanning transmission electron microscopy and electron energy-loss spectroscopy mapping of local structure and composition. SW-XPS also enabled deconvolution of the LCO and STO contributions to the valence-band (VB) spectra. Using a two-step analytical approach involving first SW-induced core-level binding-energy shifts and then VB modeling, the variation in potential across the complete superlattice is determined in detail. As a result, this potential is in excellent agreement with density functional theory models, confirming this method as a generally useful tool for interface studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Emulating 2D Materials with Magnons

Spin waves (magnons) in two-dimensional (2D) materials have received increasing interest due to their unique states and potential for tunability. However, many interesting features of these systems, including Dirac points and topological states, occur at high frequencies, where experimental probes are limited. Here, we study a crystal formed by patterning a hexagonal array of holes in a perpendicularly magnetized thin film. Through simulation, we find that the magnonic band structure imitates that of graphene, but additionally has some kagomelike character and includes a few flat bands. Surprisingly, its nature can be understood using a nine-band tight-binding Hamiltonian. This clear analogy to 2D materials enables band-gap engineering in 2D, topological magnons along 1D phase boundaries, and spectrally isolated modes at 0D point defects. Interestingly, the 1D phase boundaries allow access to the valley degree of freedom through a magnonic analog of the quantum valley Hall insulator. These approaches can be extended to other magnonic systems, but are potentially more general due to the simplicity of the model, which resembles existing results from electron, phonon, photon, and cold-atom systems. This finding brings the physics of spin waves in 2D materials to more experimentally accessible scales, augments it, and outlines a few principles for controlling magnonic states.

Ferrimagnets↗
DOE OSTI2016

Laser-induced damage of intrinsic and extrinsic defects by picosecond pulses on multilayer dielectric coatings for petawatt-class lasers

Here, we describe a damage testing system and its use in investigating laser-induced optical damage initiated by both intrinsic and extrinsic precursors on multilayer dielectric coatings suitable for use in high-energy, large-aperture petawatt-class lasers. We employ small-area damage test methodologies to evaluate the intrinsic damage resistance of various coatings as a function of deposition methods and coating materials under simulated use conditions. In addition, we demonstrate that damage initiation by raster scanning at lower fluences and growth threshold testing are required to probe the density of extrinsic defects, which will limit large-aperture optics performance.

42 ENGINEERING↗
DOE OSTI2016

Electronic Raman scattering and the renormalization of the electron spectrum in LuB{sub 12}

The electronic Raman scattering in LuB{sub 12} single crystals of various isotope compositions is studied in the temperature range 10–650 K. The shape and the energy position of spectral maxima depend on the direction and magnitude of a probe wavevector, the temperature, and the excitation symmetry and remain unchanged when the isotope composition changes. Experimental spectra are compared with the spectra simulated on the basis of a calculated electronic structure. The experimental results are successfully described when the electron spectrum renormalization effects caused by electron–phonon coupling are taken into account. This confirms that the origin of the observed spectra in LuB{sub 12} is due to Raman scattering by electrons. A comparison of the calculated and experimental data makes it possible to determine the coupling constant (λ{sub ep} = 0.32) that gives the correct superconducting transition temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Unraveling TeV halos with the Cherenkov Telescope Array

Pulsars are observed to emit bright and spatially extended gamma-ray emission at multi-TeV energies. These so-called "TeV halos" are now understood to be a nearly universal feature of middle-aged pulsars. However, many of the key physical processes that govern these systems, particularly those affecting particle diffusion, remain poorly constrained. We aim to evaluate the ability of the Cherenkov Telescope Array (CTA) to probe the physical properties of TeV halos, with a focus on the nearby and well-studied case of the Geminga pulsar. We simulate gamma-ray emission from various TeV halo models, incorporating different assumptions for the injected electron spectrum, spin-down evolution, and energy-dependent diffusion. These models are then used to forecast CTA's sensitivity to spectral and spatial differences, based on realistic mock observations and instrument response simulations. We find that CTA will be able to distinguish between a wide range of TeV halo models that are currently consistent with existing data. In particular, CTA observations can constrain the normalization, energy dependence, and spatial extent of the diffusion coefficient surrounding Geminga, as well as the spectral shape of the injected electron population.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Application of Pulse Spark Discharges for Scale Prevention and Continuous Filtration Methods in Coal-Fired Power Plant

The overall objective of the present work was to develop a new scale-prevention technology by continuously precipitating and removing dissolved mineral ions (such as calcium and magnesium) in cooling water while the COC could be doubled from the present standard value of 3.5. The hypothesis of the present study was that if we could successfully precipitate and remove the excess calcium ions in cooling water, we could prevent condenser-tube fouling and at the same time double the COC. The approach in the study was to utilize pulse spark discharges directly in water to precipitate dissolved mineral ions in recirculating cooling water into relatively large suspended particles, which could be removed by a self-cleaning filter. The present study began with a basic scientific research to better understand the mechanism of pulse spark discharges in water and conducted a series of validation experiments using hard water in a laboratory cooling tower. Task 1 of the present work was to demonstrate if the spark discharge could precipitate the mineral ions in water. Task 2 was to demonstrate if the self-cleaning filter could continuously remove these precipitated calcium particles such that the blowdown could be eliminated or significantly reduced. Task 3 was to demonstrate if the scale could be prevented or minimized at condenser tubes with a COC of 8 or (almost) zero blowdown. In Task 1, we successfully completed the validation study that confirmed the precipitation of dissolved calcium ions in cooling water with the supporting data of calcium hardness over time as measured by a calcium ion probe. In Task 2, we confirmed through experimental tests that the self-cleaning filter could continuously remove precipitated calcium particles in a simulated laboratory cooling tower such that the blowdown could be eliminated or significantly reduced. In addition, chemical water analysis data were obtained which were used to confirm the COC calculation. In Task 3, we conducted a series of heat transfer fouling tests using a condenser heat exchanger in the laboratory cooling tower, from which we confirmed that the plasma water treatment technology could prevent or significantly mitigate mineral foulings in condenser tubes when compared with the no-treatment case. With the completion of the present work, a cooling water treatment technology using pulse spark discharges is currently ready for field-validation tests. The plasma water treatment technology is a true mechanical water softener with almost no maintenance, which continuously converts hard water to soft water spending a relatively small amount of energy. Such a mechanical water softener could find wide-spread applications to solve hard water problems both in industry and at home.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

In-situ Characterizations of Microstructural Degradation of Perovskite Solar Cells

Rapid progress has been achieved in perovskite solar cells (PSCs), and their efficiencies have improved from 3.8 % to 24.2 % in less than a decade. With low-cost processing, PSCs have shown exciting photovoltaic (PV) properties, such as effective optical absorption, a long carrier lifetime, and unique defect tolerance. While recent studies demonstrated improved stability up to 100 days, PSC technology is still challenged to meet the stringent industry requirements for commercialization. Despite considerable efforts, the underlying physical mechanisms for the inferior stability of PSCs are not well understood. One reason for this divergence is that many established measurement techniques (e.g., quantum efficiency, photoluminescence) probe the properties on length scales far greater than that of electronic and/or structural inhomogeneity (i.e., < 1 μm near grain boundaries) and therefore characterize convoluted and/or averaged properties. Ion/electron beam-based techniques have been extensively used to access the microstructures of PSCs, enabling atomic/nanoscale structural, chemical, optical, and electrical characterizations. For example, focused ion beam (FIB) milling produces an atomically smooth surface that minimizes the artifacts attributed to the surface roughness. FIB techniques can also create a well-defined cross-section of PSCs without mechanical damage in a physical cleaving sample preparation. While powerful, there are some concerns about possible beam damage of inorganic-organic perovskites via chemical-bond breakage and local heating. This project aims to comprehensively understand how the microstructural/interfacial properties of PSCs (e.g., Methylammonium Lead Iodide [MAPbI 3 ]) are modified under the irradiating ion beams. Specifically, we investigate the sub-surface properties of PSCs before and after Ar-ion beam injections. Kelvin probe force microscopy (KPFM) measures the contact potential differences (CPDs). Photoluminescence (PL) microscopy in conjunction with Finite-Difference Time-Domain (FDTD) simulations infers the formation of a “dead layer” (< 15 nm) on the subsurface of MAPbI 3 during Ar+ milling processes while preserving the initial bulk properties. The x-ray photoemission spectroscopy (XPS) confirms this modified surface is a lead-rich and iodine-deficient surface. We initiate customizing in-situ measurement setup while measuring the local optical and electrical properties of PSC under thermal (cooling, heating) and light stressors. Our results provide in-depth knowledge of the ion-beam impact on metal-halide perovskites and how this modified sub-surface impacts their properties under accelerated stressors of light and heat. Intensive Monte Carlo simulations of an electron beam interacting with PSCs provide the beam energy distribution in PSCs, proposing possible measurement conditions of using e-beam with minimizing beam damage. Our in-situ measurement platform can accommodate the diverse architecture of PSC devices for studying deterioration mechanisms under mixed environmental stressors.

14 SOLAR ENERGY↗
DOE OSTI2021

A novel measurement of marginal Alfven Eigenmode stability during high power auxiliary heating in JET

The interaction of Alfven Eigenmodes (AEs) and energetic particles is one of many important factors determining the success of future tokamaks. In JET, eight in-vessel antennas were installed to actively probe stable AEs with frequencies ranging 25-250 kHz and toroidal mode numbers |n| < 20. During the 2019-2020 deuterium campaign, almost 7500 resonances and their frequencies f0, net damping rates \gamma < 0, and toroidal mode numbers were measured in almost 800 plasma discharges. From a statistical analysis of this database, continuum and radiative damping are inferred to increase with edge safety factor, edge magnetic shear, and when including non-ideal effects. Both stable AE observations and their associated damping rates are found to decrease with |n|. Active antenna excitation is also found to be ineffective in H-mode as opposed to L-mode; this is likely due to the increased edge density gradient's effect on accessibility and ELM-related noise's impact on mode identification. A novel measurement is reported of a marginally stable, edge-localized Ellipticity-induced AE probed by the antennas during high-power auxiliary heating (ICRH and NBI) up to 25 MW. NOVA-K kinetic-MHD simulations show good agreement with experimental measurements of f0, \gamma, and n, indicating the dominance of continuum and electron Landau damping in this case. Similar experimental and computational studies are planned for the recent hydrogen and ongoing tritium campaigns, in preparation for the upcoming DT campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1973

An adaptive technique for estimating the atmospheric density profile during the AE mission

A technique is presented for processing accelerometer data obtained during the AE missions in order to estimate the atmospheric density profile. A minimum variance, adaptive filter is utilized. The trajectory of the probe and probe parameters are in a consider mode where their estimates are unimproved but their associated uncertainties are permitted an impact on filter behavior. Simulations indicate that the technique is effective in estimating a density profile to within a few percentage points.

Argentiero, P.↗
NASA NTRS1982

Secondary electron emission from a charged dielectric in the presence of normal and oblique electric fields

The secondary electron emission coefficient was obtained for a FEP-Teflon dielectric charged with monoenergetic electrons normally incident upon the surface of the specimen. Measurements of secondary emission coefficient were done for normal and oblique incidence with different primary beam energies in the presence of normal and oblique electric fields. A collimated probing beam was directed to different points on the surface of the specimen and the released or accumulated charge was monitored using an electrometer. The measured data for different probing beam energies, different impact points and different angles of incidence were plotted vs. impact energy and impact point. Data analyzed by computer simulations to find the potential distribution on the surface of the specimen and the electric field around it, is presented and discussed.

Javidi, B.↗
NASA NTRS1986

An MHD simulation of the interaction of the solar wind with the outflowing plasma from a comet

The interaction between the solar wind and the outflowing plasmas from a comet has been studied by using a two-dimensional time-dependent magnetohydrodynamic (MHD) simulation. The model reproduced several features of the comet-solar wind interaction predicted by earlier theories and observed on the recent cometary probes. These include the formation of the contact surface and the cometary magnetotail. For a constant interplanetary magnetic field (IMF) the cometary plasma captures field lines which drape over the comet to form an antiparallel magnetic field configuration in the tail and a thin plasma sheet. Eventually, tail magnetic reconnection begins to occur at several points. When the IMF orientation is reversed dayside magnetic reconnection occurs at the subsolar point and a large disturbance propagation down the tail.

Ogino, T.↗
NASA NTRS1988

Some effects of finite spatial resolution on skin friction measurements in turbulent boundary layers

The effects of finite spatial resolution often cause serious errors in measurements in turbulent boundary layers, with particularly large effects for measurements of fluctuating skin friction and velocities within the sublayer. However, classical analyses of finite spatial resolution effects have generally not accounted for the substantial inhomogeneity and anisotropy of near-wall turbulence. The present study has made use of results from recent computational simulations of wall-bounded turbulent flows to examine spatial resolution effects for measurements made at a wall using both single-sensor probes and those employing two sensing volumes in a V shape. Results are presented to show the effects of finite spatial resolution on a variety of quantitites deduced from the skin friction field.

Westphal, Russell V.↗
NASA NTRS1990

Interaction of a neutral cloud moving through a magnetized plasma

Current collection by outgassing probes in motion relative to a magnetized plasma may be significantly affected by plasma processes that cause electron heating and cross field transport. Simulations of a neutral gas cloud moving across a static magnetic field are discussed. The authors treat a low-Beta plasma and use a 2-1/2 D electrostatic code linked with the authors' Plasma and Neutral Interaction Code (PANIC). This study emphasizes the understanding of the interface between the neutral gas cloud and the surrounding plasma where electrons are heated and can diffuse across field lines. When ionization or charge exchange collisions occur a sheath-like structure is formed at the surface of the neutral gas. In that region the crossfield component of the electric field causes the electron to E times B drift with a velocity of the order of the neutral gas velocity times the square root of the ion to electron mass ratio. In addition a diamagnetic drift of the electron occurs due to the number density and temperature inhomogeneity in the front. These drift currents excite the lower-hybrid waves with the wave k-vectors almost perpendicular to the neutral flow and magnetic field again resulting in electron heating. The thermal electron current is significantly enhanced due to this heating.

Goertz, C. K.↗
NASA NTRS1992

NASA aerodynamics program

The annual accomplishments is reviewed for the Aerodynamics Division during FY 1991. The program includes both fundamental and applied research directed at the full spectrum of aerospace vehicles, from rotorcraft to planetary entry probes. A comprehensive review is presented of the following aerodynamics elements: computational methods and applications; CFD validation; transition and turbulence physics; numerical aerodynamic simulation; test techniques and instrumentation; configuration aerodynamics; aeroacoustics; aerothermodynamics; hypersonics; subsonics; fighter/attack aircraft and rotorcraft.

Williams, Louis J.↗