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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

On the reinforcement homogenization in CNT/metal matrix composites during severe plastic deformation

Highlights: • Carbon nanotube-reinforced composites were processed by severe plastic deformation. • The evolution of the second phase distribution homogeneity is thoroughly analyzed. • The analysis is carried out with increasing equivalent strains. • A combination of two methods is applied and discussed. • A model that predicts the equivalent strain necessary for homogeneity is proposed. - Abstract: Carbon nanotube (CNT)-reinforced nickel matrix composites with different concentrations were processed by high pressure torsion (HPT). We thoroughly characterized the CNT agglomerates' spatial arrangement at different stages of deformation in order to extract information valuable for the optimization of the processing parameters and to elucidate the mechanisms involved during the processing of particle reinforced metal matrix composites by HPT. From the electron micrographs taken on the radial direction with increasing equivalent strains, we observed that CNT agglomerates debond by relative sliding between CNT during HPT, becoming spherical at higher stages of deformation. Furthermore, we introduced a model for the prediction of the minimum strain required for a homogeneous distribution of a second phase during HPT, which can be correlated to the material's three-dimensional structure and agrees well with the experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Controlling homogenization length scales and microstructure in additively manufactured Ti-Ta functionally graded materials

Materials with smooth compositional gradients or functionally grade materials (FGMs) produced via additive manufacturing (AM), enables joining dissimilar materials and optimizing multiple properties in advanced engineering applications. However, as-printed AM microstructures exhibit micro-segregation and solidification defects which, when combined with controlling macroscale gradient properties, complicates necessary post-processing. Here, we use CALPHAD-informed diffusion modelling to design post-processing heat treatments for lightweight to refractory FGMs. Ti-Ta (0 to 85 at. % Ta) FGMs were fabricated using laser-based directed energy deposition AM. Post-processing heat treatments at 1000° C and 1500° C were designed to promote homogenization across specific length scales and experimentally validated. Investigation of chemical segregation and microstructures demonstrated that the length scale of homogenization is controlled as a function of time, temperature, and local composition. Ta-rich regions exhibited incomplete homogenization compared to Ti-rich layers. Unmelted Ta particles were found to completely dissolve at 1500 °C. By controlling cooling rate (200 °C/min), martensitic structures were produced between 14–36 at. % Ta, consistent with martensite-start temperatures calculations, while furnace cooling (2 °C/min) produced α+β morphologies. This work establishes a validated predictive framework for designing post-processing to tailor microstructure and chemical architecture in AM FGMs, facilitating their deployment in demanding environments.

Materials science↗
DOE OSTI2012

Magnetic properties and homogeneous distribution of Gd{sup 3+} ions in gadolinium molybdenum borate glass with high Gd{sub 2}O{sub 3} content

Highlights: ► The magnetic susceptibility of Gd{sub 2}O{sub 3}–MoO{sub 3}–B{sub 2}O{sub 3} glass was examined in T = 1.8–300 K. ► The effective magnetic moment was μ{sub eff} = 7.87 μ{sub B}. ► The Weiss constant was θ = −0.7 K. ► Gd{sup 3+} ions are distributed homogeneously as paramagnetic ions down to T = 1.8 K. -- Abstract: The magnetic susceptibility and specific heat of 21.25Gd{sub 2}O{sub 3}–63.75MoO{sub 3}–15B{sub 2}O{sub 3} (mol%) glass showing the crystallization of ferroelastic β′-Gd{sub 2}(MoO{sub 4}){sub 3} crystals are examined in the temperature range of T = 1.8–300 K to clarify magnetic and distribution states of Gd{sup 3+} ions. The magnetic susceptibility obeys the Curie–Weiss law, giving the effective magnetic moment of μ{sub eff} = 7.87 μ{sub B} and the Weiss constant of θ = −0.7 K. Any peak such as λ-type anomaly is not observed in the temperature dependence of specific heat in T = 1.8–5 K. It is suggested that Gd{sup 3+} ions in the glass with a high Gd{sub 2}O{sub 3} content of 21.25 mol% are distributed homogeneously and randomly as paramagnetic ions down to T = 1.8 K without inducing any strong magnetic interaction. The present study suggests that glasses based on the MoO{sub 3}–B{sub 2}O{sub 3} system are good hosts for the homogeneous solubility of a large amount of rare-earth oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fabrication of In2O3/TiO2 nanotube arrays hybrids with homogeneously developed nanostructure for photocatalytic degradation of Rhodamine B

Highlights: • A new class of plate-like In{sub 2}O{sub 3}/TNAs photocatalyst is successfully fabricated. • The obtained In{sub 2}O{sub 3}/TNAs hybrid presents a well-aligned nanotubular structure. • In{sub 2}O{sub 3} particles are dispersed homogeneously on TNAs without blocking the nozzles. • In{sub 2}O{sub 3}/TNAs hybrid shows a much enhanced Rhodamine B degradation efficiency. • In{sub 2}O{sub 3}/TNAs hybrid demonstrates an excellent recycling capability. - Abstract: To enhance the photocatalytic recycling capability of the TiO{sub 2}-based photocatalysts, a new kind of plate-like In{sub 2}O{sub 3}/TiO{sub 2} nanotube array (TNA) hybrids is fabricated herein by constructing TNAs via an anodization method followed by doping In{sub 2}O{sub 3} via a solvothermal method. The obtained In{sub 2}O{sub 3}/TNA hybrid demonstrates a well-aligned nanotubular structure with homogeneous dispersion of In{sub 2}O{sub 3} nanoparticles. It shows a much higher degradation rate of 77% after 2 h compared to TNA (37%). In addition, the plate-like feature endows the photocatalysts with an excellent recycling capability. These superior photocatalytic degradation performances can be ascribed to the following factors: (1) the enhanced light absorption ability and efficient separation of photoexcited electron-hole pairs derived from the formation of the heterostructure between the interface of TiO{sub 2} and In{sub 2}O{sub 3}; (2) the efficient transport of reactant molecules provided by the well-defined TNAs and the homogeneous distribution of the In{sub 2}O{sub 3} nanoparticles without blocking the nanotubes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Homogenization theory for the effective permittivity of a turbulent tokamak plasma in the scrape-off layer

We report that there has been a growing interest, over the past few years, on understanding the effect on radio frequency waves due to turbulence in the scrape-off layer of tokamak plasmas. While the far scrape-off layer density width is of the order of centimetres in contemporary tokamaks, in ITER (International Thermonuclear Experimental Reactor), and in future fusion reactors, the corresponding width will be of the order of tens of centimetres. As such, this could impact the spectral properties of the waves and, consequently, the transport of wave energy and momentum to the core plasma. The turbulence in the scrape-off layer spans a broad range of spatial scales and includes blobs and filaments that are elongated along the magnetic field lines. The propagation of radio frequency waves through this tenuous plasma is given by Maxwell’s equations. The characteristic properties of the plasma appear as a permittivity tensor in the expression for the current in Ampere’s equation. This paper develops a formalism for expressing the permittivity of a turbulent plasma using the homogenization technique. This technique has been extensively used to express the dielectric properties of composite materials that are spatially inhomogeneous, for example, due to the presence of micro-structures. In a similar vein, the turbulent plasma in the scrape-off layer is spatially inhomogeneous and can be considered as a composite material in which the micro-structures are filaments and blobs. The classical homogenization technique is not appropriate for the magnetized plasma in the scrape-off layer, as the radio frequency waves span a broad range of wavelengths and frequencies – from tens of megahertz to hundreds of gigahertz. The formalism in this paper makes use of the Fourier space components of the electric and magnetic fields of the radio frequency waves for the scattered fields and fields inside the filaments and blobs. These are the eigenvectors of the dispersion matrix which, using the Green’s function approach, lead to a homogenized dielectric tensor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Redox Mediators in Homogeneous Co-electrocatalysis

Homogeneous electrocatalysis has been well studied over the past several decades for the conversion of small molecules to useful products for green energy applications or as chemical feedstocks. However, in order for these catalyst systems to be used in industrial applications, their activity and stability must be improved. In naturally occurring enzymes, redox equivalents (electrons, often in a concerted manner with protons) are delivered to enzyme active sites by small molecules known as redox mediators (RMs). Inspired by this, co-electrocatalytic systems with homogeneous catalysts and RMs have been developed for the conversion of alcohols, nitrogen, unsaturated organic substrates, oxygen, and carbon dioxide. In these systems, the RMs have been shown to both increase the activity of the catalyst and shift selectivity to more desired products by altering catalytic cycles and/or avoiding high-energy intermediates. However, the area is currently underdeveloped and requires additional fundamental advancements in order to become a more general strategy. Furthermore, we summarize the recent examples of homogeneous co-electrocatalysis and discuss possible future directions for the field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Intrinsic homogeneous linewidth and broadening mechanisms of excitons in monolayer transition metal dichalcogenides

In this paper, the band-edge optical response of transition metal dichalcogenides, an emerging class of atomically thin semiconductors, is dominated by tightly bound excitons localized at the corners of the Brillouin zone (valley excitons). A fundamental yet unknown property of valley excitons in these materials is the intrinsic homogeneous linewidth, which reflects irreversible quantum dissipation arising from system (exciton) and bath (vacuum and other quasiparticles) interactions and determines the timescale during which excitons can be coherently manipulated. Here we use optical two-dimensional Fourier transform spectroscopy to measure the exciton homogeneous linewidth in monolayer tungsten diselenide (WSe 2 ). The homogeneous linewidth is found to be nearly two orders of magnitude narrower than the inhomogeneous width at low temperatures. We evaluate quantitatively the role of exciton–exciton and exciton–phonon interactions and population relaxation as linewidth broadening mechanisms. The key insights reported here—strong many-body effects and intrinsically rapid radiative recombination—are expected to be ubiquitous in atomically thin semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanoscopic cross-grain cation homogenization in perovskite solar cells

Multiscale cation inhomogeneity has been a major hurdle in state-of-the-art formamidinium–caesium (FA–Cs) mixed-cation perovskites for achieving perovskite solar cells with optimal power conversion efficiencies and durability. Although the field has attempted to homogenize the overall distributions of FA–Cs in perovskite films from both plan and cross-sectional views, our understanding of grain-to-grain cation inhomogeneity and ability to tailor it—that is, spatially resolving the FA–Cs compositional difference between individual grains down to the nanoscale—are lacking. Here we reveal that as fundamental building blocks of a perovskite film, individual grains exhibit cationic compositions deviating from the prescribed ideal composition, severely limiting the interfacial optoelectronic properties and perovskite layer durability. This performance-limiting nanoscopic factor is linked to thermodynamic-driven morphological grooving, leading to a segmented surface landscape. At the grain triple junctions, grooves form nanoscale groove traps that hinder the mixing of solid-state cations across grains and thus retard inter-grain FA–Cs mixing. By rationally modulating the heterointerfacial energies, we reduced the depth of these nanoscale groove traps by a factor of three, significantly improving cation homogeneity. Perovskite solar cells with shallower nanoscale groove traps demonstrate enhanced power conversion efficiencies (25.62%) and improved stability under various standardized international protocols. In conclusion, our work highlights the significance of resolving surface nano-morphologies for homogeneous properties of perovskites.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2010

Broken ergodicity in two-dimensional homogeneous magnetohydrodynamic turbulence

Two-dimensional (2D) homogeneous magnetohydrodynamic (MHD) turbulence has many of the same qualitative features as three-dimensional (3D) homogeneous MHD turbulence. These features include several ideal (i.e., nondissipative) invariants along with the phenomenon of broken ergodicity (defined as nonergodic behavior over a very long time). Broken ergodicity appears when certain modes act like random variables with mean values that are large compared to their standard deviations, indicating a coherent structure or dynamo. Recently, the origin of broken ergodicity in 3D MHD turbulence that is manifest in the lowest wavenumbers was found. Here, we study the origin of broken ergodicity in 2D MHD turbulence. It will be seen that broken ergodicity in ideal 2D MHD turbulence can be manifest in the lowest wavenumbers of a finite numerical model for certain initial conditions or in the highest wavenumbers for another set of initial conditions. The origins of broken ergodicity in an ideal 2D homogeneous MHD turbulence are found through an eigenanalysis of the covariance matrices of the probability density function and by an examination of the associated entropy functional. When the values of ideal invariants are kept fixed and grid size increases, it will be shown that the energy in a few large modes remains constant, while the energy in any other mode is inversely proportional to grid size. Also, as grid size increases, we find that broken ergodicity becomes manifest at more and more wavenumbers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Dosimetry in Mammography: Average Glandular Dose Based on Homogeneous Phantom

The objective of this study was to demonstrate that a clinical dosimetry protocol that utilizes a dosimetric breast phantom series based on population anthropometric measurements can reliably predict the average glandular dose (AGD) imparted to the patient during a routine screening mammogram. AGD was calculated using entrance skin exposure and dose conversion factors based on fibroglandular content, compressed breast thickness, mammography unit parameters and modifying parameters for homogeneous phantom (phantom factor), compressed breast lateral dimensions (volume factor) and anatomical features (anatomical factor). The patient fibroglandular content was evaluated using a calibrated modified breast tissue equivalent homogeneous phantom series (BRTES-MOD) designed from anthropomorphic measurements of a screening mammography population and whose elemental composition was referenced to International Commission on Radiation Units and Measurements Report 44 and 46 tissues. The patient fibroglandular content, compressed breast thickness along with unit parameters and spectrum half-value layer were used to derive the currently used dose conversion factor (DgN). The study showed that the use of a homogeneous phantom, patient compressed breast lateral dimensions and patient anatomical features can affect AGD by as much as 12%, 3% and 1%, respectively. The protocol was found to be superior to existing methodologies. The clinical dosimetry protocol developed in this study can reliably predict the AGD imparted to an individual patient during a routine screening mammogram.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

Improving the homogeneity of alternating current-drive atmospheric pressure dielectric barrier discharges in helium with an additional low-amplitude radio frequency power source: A numerical study

It was proposed in this paper that the homogeneity of the atmospheric pressure discharge driven by an ac power source could be improved by applying an auxiliary low-amplitude rf power source. To verify the idea, a two-dimensional fluid model then was applied to study the atmospheric discharges in helium driven by ac power, low-amplitude rf power, and combined ac and low-amplitude rf power, respectively. Simulation results confirmed that an auxiliary rf power could improve the homogeneity of a discharge driven by an ac power source. It was further found that there existed a threshold voltage of the rf power source leading to the transition from inhomogeneous to homogeneous discharge. As the frequency of the rf power source increased from 2 to 22 MHz, the magnitude of the threshold voltage dropped first rapidly and then to a constant value. When the frequency was over 13.56 MHz, the magnitude of the threshold voltage was smaller than one-sixth of the ac voltage amplitude under the simulated discharge parameters.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Homogeneous carbon doping of magnesium diboride by high-temperature, high-pressure synthesis

We have used high-pressure, high-temperature synthesis at 1500–1700 °C and 10 MPa to create homogeneously C-substituted MgB{sub 2} from a B{sub 4}C + Mg mixture. X-ray diffraction analysis showed large peak-shifts consistent with a decrease in the a lattice parameter for the B{sub 4}C-derived MgB{sub 2} as compared to an undoped sample (0.033–0.037 Å, depending on the sample). Microstructural investigation showed a three-phase mixture in the B{sub 4}C-derived ingots: MgB{sub 2−x}C{sub x} (with 0.178 < x < 0.195), MgB{sub 2}C{sub 2}, and Mg. The carbon concentration determined from the lattice parameter shift (5.95 at. %) matched well with the calorimetrically derived concentration of 5.3–5.8 at. % C. Furthermore, the carbon content measured by electron probe micro-analysis was shown to be 6.2 ± 1.3 at. %. Finally, we performed bulk specific heat measurements to determine the homogeneity of C-doping in the MgB{sub 2}. The width of the T{sub c} distribution for the C-doped MgB{sub 2} was only 3–6 K with a full-width half maximum (FWHM) of 1.4 K, compared to a width of 2.5 K and a FWHM of 0.65 for an undoped sample. The consistency of these three measurements on a large-grained homogeneous material is unambiguously supportive of C-substitution.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Collective strong coupling with homogeneous Rabi frequencies using a 3D lumped element microwave resonator

We design and implement 3D-lumped element microwave cavities that spatially focus magnetic fields to a small mode volume. They allow coherent and uniform coupling to electron spins hosted by nitrogen vacancy centers in diamond. We achieve large homogeneous single spin coupling rates, with an enhancement of more than one order of magnitude compared to standard 3D cavities with a fundamental resonance at 3 GHz. Finite element simulations confirm that the magnetic field distribution is homogeneous throughout the entire sample volume, with a root mean square deviation of 1.54%. With a sample containing 10{sup 17} nitrogen vacancy electron spins, we achieve a collective coupling strength of Ω = 12 MHz, a cooperativity factor C = 27, and clearly enter the strong coupling regime. This allows to interface a macroscopic spin ensemble with microwave circuits, and the homogeneous Rabi frequency paves the way to manipulate the full ensemble population in a coherent way.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Homogeneous double-layer amorphous Si-doped indium oxide thin-film transistors for control of turn-on voltage

We fabricated homogeneous double-layer amorphous Si-doped indium oxide (ISO) thin-film transistors (TFTs) with an insulating ISO cap layer on top of a semiconducting ISO bottom channel layer. The homogeneously stacked ISO TFT exhibited high mobility (19.6 cm{sup 2}/V s) and normally-off characteristics after annealing in air. It exhibited normally-off characteristics because the ISO insulator suppressed oxygen desorption, which suppressed the formation of oxygen vacancies (V{sub O}) in the semiconducting ISO. Furthermore, we investigated the recovery of the double-layer ISO TFT, after a large negative shift in turn-on voltage caused by hydrogen annealing, by treating it with annealing in ozone. The recovery in turn-on voltage indicates that the dense V{sub O} in the semiconducting ISO can be partially filled through the insulator ISO. Controlling molecule penetration in the homogeneous double layer is useful for adjusting the properties of TFTs in advanced oxide electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

The outer-coordination sphere: incorporating amino acids and peptides as ligands for homogeneous catalysts to mimic enzyme function

Great progress has been achieved in the field of homogeneous transition metal-based catalysis, however, as a general rule these solution based catalysts are still easily outperformed, both in terms of rates and selectivity, by their analogous enzyme counterparts, including structural mimics of the active site. This observation suggests that the features of the enzyme beyond the active site, i.e. the outer-coordination sphere, are important for their exceptional function. Directly mimicking the outer-coordination sphere requires the incorporation of amino acids and peptides as ligands for homogeneous catalysts. This effort has been attempted for many homogeneous catalysts which span the manifold of catalytic reactions and often require careful thought regarding solvent type, pH and characterization to avoid unwanted side reactions or catalyst decomposition. This article reviews the current capability of synthesizing and characterizing this often difficult category of metal-based catalysts. This work was funded by the DOE Office of Science Early Career Research Program through the Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

catalysis, outer-coordination sphere, bioinspired ↗
DOE OSTI2013

PROPAGATION OF SEISMIC WAVES THROUGH A SPATIO-TEMPORALLY FLUCTUATING MEDIUM: HOMOGENIZATION

Measurements of seismic wave travel times at the photosphere of the Sun have enabled inferences of its interior structure and dynamics. In interpreting these measurements, the simplifying assumption that waves propagate through a temporally stationary medium is almost universally invoked. However, the Sun is in a constant state of evolution, on a broad range of spatio-temporal scales. At the zero-wavelength limit, i.e., when the wavelength is much shorter than the scale over which the medium varies, the WKBJ (ray) approximation may be applied. Here, we address the other asymptotic end of the spectrum, the infinite-wavelength limit, using the technique of homogenization. We apply homogenization to scenarios where waves are propagating through rapidly varying media (spatially and temporally), and derive effective models for the media. One consequence is that a scalar sound speed becomes a tensorial wave speed in the effective model and anisotropies can be induced depending on the nature of the perturbation. The second term in this asymptotic two-scale expansion, the so-called corrector, contains contributions due to higher-order scattering, leading to the decoherence of the wave field. This decoherence may be causally linked to the observed wave attenuation in the Sun. Although the examples we consider here consist of periodic arrays of perturbations to the background, homogenization may be extended to ergodic and stationary random media. This method may have broad implications for the manner in which we interpret seismic measurements in the Sun and for modeling the effects of granulation on the scattering of waves and distortion of normal-mode eigenfunctions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Homogenization and Upscaling for Diffusion, Heat Conduction, and Wave Propagation in Heterogeneous Materials

We present a general homogenization method for diffusion, heat conduction, and wave propagation in a periodic heterogeneous material with piecewise constants. The method is relevant to the frequently encountered upscaling issues for heterogeneous materials. The dispersion relation for each problem is first expressed in the general form where the frequency (or wavenumber k) is expanded in terms of the wavenumber k (or frequency ). A general homogenization model can be directly obtained with any given dispersion relation. Next step we study the unit cell of the heterogeneous material and derive the exact dispersion relation. The final homogenized equations include both leading order terms (effective properties) and high order contributions that represent the effect of the microscopic heterogeneity on the macroscopic behavior. That effect can be lumped into a single dimensionless heterogeneity parameter ß, which is bounded between and has a universal expression for all three problems. Numerical examples validate the proposed method and demonstrate a significant computational saving.

Xu, Zhijie↗
DOE OSTI2013

TESTING HOMOGENEITY WITH GALAXY STAR FORMATION HISTORIES

Observationally confirming spatial homogeneity on sufficiently large cosmological scales is of importance to test one of the underpinning assumptions of cosmology, and is also imperative for correctly interpreting dark energy. A challenging aspect of this is that homogeneity must be probed inside our past light cone, while observations take place on the light cone. The star formation history (SFH) in the galaxy fossil record provides a novel way to do this. We calculate the SFH of stacked luminous red galaxy (LRG) spectra obtained from the Sloan Digital Sky Survey. We divide the LRG sample into 12 equal-area contiguous sky patches and 10 redshift slices (0.2 < z < 0.5), which correspond to 120 blocks of volume {approx}0.04 Gpc{sup 3}. Using the SFH in a time period that samples the history of the universe between look-back times 11.5 and 13.4 Gyr as a proxy for homogeneity, we calculate the posterior distribution for the excess large-scale variance due to inhomogeneity, and find that the most likely solution is no extra variance at all. At 95% credibility, there is no evidence of deviations larger than 5.8%.

79 ASTRONOMY AND ASTROPHYSICS↗