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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Structure of a stratified CH 4 flame with H 2 addition

To explore the effect of H 2 addition (20 percent by volume) on stratified-premixed methane combustion in a turbulent flow, an experimental investigation on a new flame configuration of the Darmstadt stratified burner is conducted here. Major species concentrations and temperature are measured with high spatial resolution by 1D Raman-Rayleigh scattering. A conditioning on local equivalence ratio (range from φ = 0.45 to φ = 1.25) and local stratification is applied to the large dataset and allows to analyze the impact of H 2 addition on the flame structure. The local stratification level is determined as Δφ/ΔT at the location of maximum CO mass fraction for each instantaneous flame realization. Due to the H 2 addition, preferential diffusion of H 2 is different than in pure methane flames. In addition to diffusing out of the reaction zone where it is formed, particularly in rich conditions, H 2 also diffuses from the cold reactant mixture into the flame front. For rich conditions (φ = 1.05 to φ = 1.15) H 2 mass fractions are significantly elevated within the intermediate temperature range compared to fully-premixed laminar flame simulations. This elevation is attributed to preferential transport of H 2 into the rich flame front from adjacent even richer regions of the flow. Additionally, when the local stratification across the flame front is taken into account, it is revealed that the state-space relation of H 2 is not only a function of the local stoichiometry but also the local stratification level. In these flames H 2 is the only major species showing sensitivity of the state-space relation to an equivalence ratio gradient across the flame front.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Art and Science of the Cellular Mesoscale

Experimental information from microscopy, structural biology, and bioinformatics may be integrated to build structural models of entire cells with molecular detail. This integrative modeling is challenging in several ways: the intrinsic complexity of biology results in models with many closely packed and heterogeneous components; the wealth of available experimental data is scattered among multiple resources and must be gathered, reconciled, and curated; and computational infrastructure is only now gaining the capability of modeling and visualizing systems of this complexity. We present recent efforts to address these challenges, both with artistic approaches to depicting the cellular mesoscale, and development and application of methods to build quantitative models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Atomic Resolution Imaging of Light Elements in a Crystalline Environment using Dynamic Hollow-Cone Illumination Transmission Electron Microscopy

Multiple electron scattering and the nonintuitive nature of image formation with coherent radiation complicate the interpretation of conventional transmission electron microscopy images. Precession of the illuminating beam in transmission electron microscopy (TEM) can lead to more robust and interpretable images with some penalty to image contrast, a technique known as dynamic hollow-cone illumination TEM. Here, we demonstrate direct and robust imaging of light and heavy atoms in a crystalline environment with this technique. This method is similar to the annular bright-field technique in scanning transmission electron microscopy, via the principle of reciprocity. Dynamic hollow-cone illumination TEM is challenging in practice due to sensitivity to the misalignment of the precession axis, microscope objective aperture, and crystal zone axis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Phonon-Mediated Quasiparticle Lifetime Renormalizations in Few-Layer Hexagonal Boron Nitride

Understanding the collective behavior of the quasiparticles in solid-state systems underpins the field of non-volatile electronics, including the opportunity to control many-body effects for well-desired physical phenomena and their applications. Hexagonal boron nitride (hBN) is a wide energy bandgap semiconductor, showing immense potential as a platform for lowdimensional device heterostructures. It is an inert dielectric used for gated devices, having a negligible orbital hybridization when placed in contact with other systems. Despite its inertness, we discover a large electron mass enhancement in few-layer hBN affecting the lifetime of the π-band states. We show that the renormalization is phonon-mediated and consistent with both single- and multiple-phonon scattering events. Our findings thus unveil a so-far unknown many-body state in a wide-bandgap insulator, having important implications for devices using hBN as one of their building blocks.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Quantitatively Probing the Al Distribution in Zeolites

The degree of substitution of Si4+ by Al3+ in the oxygen-terminated tetrahedra (Al T-sites) of zeolites determines the concentration of ion-exchange and Brønsted acid sites. As the location of the tetrahedra and the associated subtle variations in bond angles influence the acid strength, quantitative information about Al T-sites in the framework is critical to rationalize catalytic properties and to design new catalysts. A quantitative analysis is reported that uses a combination of extended X-ray absorption fine structure (EXAFS) analysis and 27Al MAS NMR spectroscopy supported by DFT-based molecular dynamics simulations. To discriminate individual Al atoms, sets of ab initio EXAFS spectra for various T-sites are generated from DFT-based molecular dynamics simulations allowing quantitative treatment of the EXAFS single- and multiple-photoelectron scattering processes out to 3-4 atom shells surrounding the Al absorption center. It is observed that identical zeolite types show dramatically different Al-distributions. A preference of Al for T-sites that are part of one or more 4-member rings in the framework over those T-sites that are part of only 5- and 6-member rings in the HBEA150 sample has been determined from a combination of these methods. This work was supported by the U. S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences.

aluminum↗
DOE OSTI2022

Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes

One of the most challenging aspects of developing high-energy lithium-based batteries is the structural and (electro)chemical stability of Ni-rich active cathode materials at thermally-abused and prolonged cell cycling conditions. Here, we report in situ physicochemical characterizations to improve the fundamental understanding of the degradation mechanism of charged polycrystalline Ni-rich cathodes at elevated temperatures (e.g., ≥ 40 °C). Using multiple microscopy, scattering, thermal, and electrochemical probes, we decouple the major contributors for the thermal instability from intertwined factors. Our research work demonstrates that the grain microstructures play an essential role in the thermal stability of polycrystalline lithium-based positive battery electrodes. We also show that the oxygen release, a crucial process during battery thermal runaway, can be regulated by engineering grain arrangements. Furthermore, the grain arrangements can also modulate the macroscopic crystallographic transformation pattern and oxygen diffusion length in layered oxide cathode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Low energy neutron light output characterization of EJ301D and deuterated stilbene with a comparison of light output characterization methods

The neutron-induced light yield of a 2.54 cm diameter by 2.54 cm long right circular cylinder of EJ301D and a (5.08 cm)3 custom made cube of deuterated trans-stilbene-d12 (d-stilbene) were measured over incident neutron energies from 300 keV to 2.2 MeV and 200 keV to 2.4 MeV, respectively. The measurements were performed using a time-of-flight experiment with a Cf-252 source and an approximately 1.5 m flight path. We compare three light output spectrum full energy deposition edge estimation methods: (1) simulating the neutron energy spectrum edge and fitting it to the light output spectrum, (2) using the inflection point of the light output spectrum edge (derivative method, a.k.a. Kornilov’s method), and (3) using an empirical model fit to the edge of the light output spectrum. Both the derivative and equation fit methods do not account for physical processes such as multiple neutron scattering in the detectors. They instead rely on assumptions about the linear shape continuum shape of the light output spectrum and the direct correlation between the location of the spectrum’s inflection point and maximum energy deposition. These assumptions were found to introduce bias into those methods when tested against simulated spectra with known edge locations. When tested against measured spectra the derivative method was found to differ from the simulation fit by greater than 30% at low energies with large discontinuities for adjacent data points above 800 keV incident neutron energy. The empirical equation fitting method was found to also exhibit bias of a similar magnitude, but with significantly more continuous behavior, especially with the lower count data of the smaller volumed EJ301D scintillator. Experimental light output yield for this neutron energy range is reported using the simulated spectrum fitting method because it includes physics neglected by the other methods, and did not exhibit the bias observed in the other methods

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

High-energy proton imaging for biomedical applications

The charged particle community is looking for techniques exploiting proton interactions instead of X-ray absorption for creating images of human tissue. Due to multiple Coulomb scattering inside the measured object it has shown to be highly non-trivial to achieve sufficient spatial resolution. We present imaging of biological tissue with a proton microscope. This device relies on magnetic optics, distinguishing it from most published proton imaging methods. For these methods reducing the data acquisition time to a clinically acceptable level has turned out to be challenging. In a proton microscope, data acquisition and processing are much simpler. This device even allows imaging in real time. The primary medical application will be image guidance in proton radiosurgery. Proton images demonstrating the potential for this application are presented. As a result, tomographic reconstructions are included to raise awareness of the possibility of high-resolution proton tomography using magneto-optics.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2026

Effect of Density Irregularities on Radio Frequency Wave Propagation in Ionospheric Plasmas

Density irregularities play a vital role in determining how radio frequency (RF) waves travel through plasmas. In the Earth’s ionosphere, these density irregularities also impact radio communication. In this study, we conduct a detailed numerical analysis of RF wave propagation in small-scale ionospheric density irregularities using the advanced Petra-M code. We focus specifically on high-frequency (HF) waves, ranging from 3 to 30 MHz, which are essential for military, amateur radio operators, and emergency communications. By introducing density structures, such as equatorial plasma bubbles derived from fluid simulations, we demonstrate that HF waves can scatter in multiple directions when they encounter these irregularities. Additionally, we observe significant mode conversion, where incoming electromagnetic waves transform into electrostatic modes within the density gradient layer. This shows that smaller density irregularities can greatly weaken signals or cause complete signal loss for receivers, emphasizing the need for increased awareness and innovative solutions in radio communication transmission.

Kim, Eun-Hwa [Princeton Plasma Physics Laboratory ↗
DOE OSTI2014

Parallel velocity diffusion and slowing-down rate from long-range collisions in a magnetized plasma

This paper derives an expression for the rate of collisional slowing of charges in a magnetized plasma for which r{sub c} < λ{sub D}, where r{sub c} is the mean thermal cyclotron radius and λ{sub D} is the Debye length. The rate depends on a new fundamental length scale d that separates collisions into two impact parameter ranges that yield different slowing rates: a Boltzmann rate due to isolated binary collisions for impact parameters ρ < d and a Fokker-Planck rate due to multiple small scatterings for ρ > d. Slowing due to Boltzmann collisions is also shown to depend on the sign of the Coulomb interaction: for repulsive interactions, the slowing is enhanced by “collisional caging,” while for attractive interactions the Boltzmann slowing rate is zero.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Electronic and optical properties of Fe, Pd, and Ti studied by reflection electron energy loss spectroscopy

We have studied the electronic and optical properties of Fe, Pd, and Ti by reflection electron energy-loss spectroscopy (REELS). REELS spectra recorded for primary energies in the range from 300 eV to 10 keV were corrected for multiple inelastically scattered electrons to determine the effective inelastic-scattering cross section. The dielectric functions and optical properties were determined by comparing the experimental inelastic-electron scattering cross section with a simulated cross section calculated within the semi-classical dielectric response model in which the only input is Im(−1/ε) by using the QUEELS-ε(k,ω)-REELS software package. The complex dielectric functions ε(k,ω), in the 0–100 eV energy range, for Fe, Pd, and Ti were determined from the derived Im(−1/ε) by Kramers-Kronig transformation and then the refractive index n and extinction coefficient k. The validity of the applied model was previously tested and found to give consistent results when applied to REELS spectra at energies between 300 and 1000 eV taken at widely different experimental geometries. In the present paper, we provide, for the first time, a further test on its validity and find that the model also gives consistent results when applied to REELS spectra in the full range of primary electron energies from 300 eV to 10000 eV. This gives confidence in the validity of the applied method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Light output function and assembly of the time-of-flight enhanced diagnostics neutron spectrometer plastic scintillators for background reduction by double kinematic selection at EAST

The 2.5 MeV neutron spectrometer TOFED (Time-Of-Flight Enhanced Diagnostics) has been constructed to perform advanced neutron emission spectroscopy diagnosis of deuterium plasmas on EAST. The instrument has a double-ring structure which, in combination with pulse shape digitization, allows for a dual kinematic selection in the time-of-flight/recoil proton energy (tof/E{sub p}) space, thus improving the spectrometer capability to resolve fast ion signatures in the neutron spectrum, in principle up to a factor ≈100. The identification and separation of features from the energetic ions in the neutron spectrum depends on the detailed knowledge of the instrument response function, both in terms of the light output function of the scintillators and the effect of undesired multiple neutron scatterings in the instrument. This work presents the determination of the light output function of the TOFED plastic scintillator detectors and their geometrical assembly. Results from dedicated experiments with γ-ray sources and quasi-monoenergetic neutron beams are presented. Implications on the instrument capability to perform background suppression based on double kinematic selection are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Reconstruction of the “phase separation – ordering” type and specific heat in carbon nanotubes

The low-temperature behavior of the specific heat in disordered nanotubes strongly depends on structure changes and was not explained by the phonon contribution. Expression for electronic specific heat was carried out taking into account the multiple elastic scattering of electrons on impurities and structural inhomogeneities of short-range order type, it includes dependence on diameter of nanotube, concentration of impurities, parameters of short-range order (structural heterogeneity) and temperature. Anomalous low-temperature behavior of the specific heat of disordered CNT is shown to have electronic nature and may be associated with the electrons that are involved in restructuring.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

RENORM predictions of diffraction at LHC confirmed

The RENORM model predictions of diffractive, total, and total-inelastic cross sections at the LHC are confirmed by recent measurements. The predictions of several other available models are discussed, highlighting their differences from RENORM, mainly arising from the way rapidity gap formation, low- and high-mass diffraction, unitarization, and hadronization are implemented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Large-scale proton radiography with micrometer spatial resolution using femtosecond petawatt laser system

An image of dragonfly with many details is obtained by the fundamental property of the high-energy proton source on a femtosecond petawatt laser system. Equal imaging of the dragonfly and high spatial resolution on the micrometer scale are simultaneously obtained. The head, wing, leg, tail, and even the internal tissue structures are clearly mapped in detail by the proton beam. Experiments show that image blurring caused by multiple Coulomb scattering can be reduced to a certain extent and the spatial resolution can be increased by attaching the dragonfly to the RCFs, which is consistent with theoretical assumptions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

Thermoelectric transport properties of polycrystalline SnSe alloyed with PbSe

Single-crystal SnSe has been found to exhibit exceptional thermoelectric performance, but the efficiency of polycrystalline samples is still far from satisfactory. In this paper, with an intention to effectively suppress heat conduction and minimally affect hole transport, we alloyed p-type polycrystalline SnSe with PbSe. Single-phase Sn 1-x Pb x Se solid solutions were formed up to x ≈ 0.12. The lattice thermal conductivity was reduced from 1.4 to 0.85 W m -1 K -1 by 12 at. % PbSe alloying due to strain and mass fluctuations. Interestingly, the Seebeck coefficient and carrier concentration were nearly unchanged by Pb substitution, indicating a constant effective mass and an undisrupted valence band maximum. A peak figure of merit (ZT) of 0.85 at 800 K was obtained in the x = 0 sample, and relatively high performance was also achieved in solid solutions. Finally, a concise model was developed involving multiple carrier scattering mechanisms, capturing the dependence of the mobility on composition and temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Nonlinear terahertz metamaterials with active electrical control

Here, we present a study of an electrically modulated nonlinear metamaterial consisting of an array of split-ring resonators fabricated on n-type gallium arsenide. The resonant metamaterial nonlinearity appears as an intensity-dependent transmission minimum at terahertz frequencies and arises from the interaction between local electric fields in the split-ring resonator (SRR) capacitive gaps and charge carriers in the n-type substrate. We investigate the active tuning range of the metamaterial device as the incident terahertz field intensity is increased and conversely the effect of an applied DC bias on the terahertz field-induced nonlinear modulation of the metamaterial response. Applying a DC bias to the metamaterial sample alters the nonlinear response and reduces the net nonlinear modulation. Similarly, increasing the incident terahertz field intensity decreases the net modulation induced by an applied DC bias. Finally, we interpret these results in terms of DC and terahertz-field-assisted carrier acceleration, scattering, and multiplication processes, highlighting the unique nature of this DC-field modulated terahertz nonlinearity.

36 MATERIALS SCIENCE↗