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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Formation of Vertically Oriented Channels during Calcination of Surfactant-Templated Titania-Doped Mesoporous Silica Thin Films

Here, the mesoporous structure development during calcination of titania-doped mesoporous silica thin films is characterized by in situ grazing-incidence small angle x-ray scattering (GISAXS). Varying amounts of titania (≤ 6 mol%) are incorporated in cetyltrimethylammonium bromide (CTAB) templated film by two methods in this study: dispersion of titania in the silica matrix, and fixing titania at the pore surface by complexation of the titania precursor with a sugar-based co-surfactant, dodecyl maltoside (C 12 G 2 ). Before calcination, films templated with only CTAB display a mesoporous structure with a mixture of in-plane 2D hexagonal and randomly oriented porous structure, while C 12 G 2 -complexed film possessed randomly oriented mesostructure only. Both methods yield a final structure of hexagonal close-packed pores orthogonally oriented to the substrate after calcination at 500 °C. This is attributed to weak Si-O-Ti bonds which allow sintering to occur at 500 °C, combined with unidirectional thermal contraction of the film in the vertical direction. Anisotropic stress and annealing of the films allows the randomly oriented pores to merge vertically and form channels with pore diameter of 2.3 ± 0.3 nm. Titania doping greater than 1% is required for this transformation in films with no C 12 G 2 surfactant used while the transformation was observed for films with C 12 G 2 complexation even at low (0.005%) titania doping, perhaps accentuated by orientational disorder introduced by the sugar surfactant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

La 139 and Cu 63 NMR investigation of charge order in La 2 CuO 4 + y ( T c = 42 K)

Here, we report 139 La and 63 Cu NMR investigation of the successive charge order, spin order, and superconducting transitions in superoxygenated La 2 CuO 4+y single crystal with stage-4 excess oxygen order at T stage ≃290 K. We show that the stage-4 order induces tilting of CuO 6 octahedra below T stage , which in turn causes 139 La NMR line broadening. The structural distortion continues to develop far below Tstage, and completes at T charge ≃60 K, where charge order sets in. This sequence is reminiscent of the the charge-order transition in Nd codoped La 1.88 Sr 0.12 CuO 4 that sets in once the low-temperature tetragonal phase is established. We also show that the paramagnetic 63 Cu NMR signals are progressively wiped out below T charge due to enhanced low-frequency spin fluctuations in charge-ordered domains, but the residual 63 Cu NMR signals continue to exhibit the characteristics expected for optimally doped superconducting CuO 2 planes. This indicates that charge order in La 2 CuO 4+y does not take place uniformly in space. In addition, unlike the typical second-order magnetic phase transitions, low-frequency Cu spin fluctuations as probed by 139 La nuclear spin-lattice relaxation rate do not exhibit critical divergence at T spin (≃T c ) =42 K. These findings, including the spatially inhomogeneous nature of the charge-ordered state, are qualitatively similar to the case of La 1.885 Sr 0.115 CuO 4 , but both charge and spin order take place more sharply in the present case.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Sapphire advanced mitigation process: wet etch to expose sub-surface damage and increase laser damage resistance and mechanical strength

In this study, a novel, to the best of our knowledge, method of wet chemical etching of sapphire workpieces (such as optics, wafers, windows, and cones), called the sapphire advanced mitigation process (or sapphire AMP), has been developed that exposes sub-surface mechanical damage created during the optical fabrication process and significantly enhances the surface laser damage resistance (> 2×) and mechanical strength (up to ~ 2.6×). Sapphire AMP involves first treating the workpiece with a mixture of sulfuric and phosphoric acid ([H 2 SO 4 ]:[H 3 PO 4 ]= 1 : 3) at 220°C, followed with phosphoric acid at 160°C, then with sodium hydroxide base (NaOH) and surfactant at 40°C, and finally with a high-pressure deionized water spray rinse. Sapphire AMP has been demonstrated on both A- and C-plane sapphire workpieces. The mechanism of this etch process involves the reaction of the sapphire (Al 2 O 3 ) surface with sulfuric acid (H 2 SO 4 ) forming aluminum sulfate [Al2(SO4)3], which has low solubility. The high phosphoric acid content in the first and second steps of sapphire AMP results in the efficient conversion of Al 2 (SO 4 ) 3 to aluminum phosphate (AlPO 4 ), which is very soluble, greatly reducing reaction product redeposition on the workpiece surface. Sapphire AMP is shown to expose sub-surface mechanical damage on the sapphire surface created during the grinding and polishing processes, whose etched morphology has either isotropic or anisotropic evolution depending on the nature of the initial surface damage. Sapphire AMP was also designed to remove the key known surface, laser absorbing precursors (namely, foreign chemical impurities, the fracture surface layer of preexisting sub-surface damage, and reaction product or foreign species redeposition or precipitation). Static and sliding indention induced surface microfractures on sapphire are shown after sapphire AMP to have a significant decrease in the fast photoluminescence intensity (a known metric for measuring the degree of laser damaging absorbing precursors). In addition, the onset of laser damage (at 351 nm 3 ns) on sapphire AMP treated workpieces was shown to increase in fluence from ~ 4 to >9.5J/cm 2 . Finally, biaxial ball-on-ring mechanical tests on sapphire disks showed an increase in the failure stress from 340 MPa (with pre-existing 28 µm flaws) to ~ 900MPa after sapphire AMP, which is attributed to the blunting of the surface microfractures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Automated selection of the local potential for transferable pseudopotentials

We develop an automated procedure to select the local potential of a separable pseudopotential that minimizes transferability errors for the isolated atom, and we show that this optimization leads to significant improvements in the accuracy of predicted solid-state properties. We present pseudopotentials for Y, In, and Sn. For these pseudopotentials, our method reduces solid-state errors by 88% on average, as measured by the Δ-factor test. These pseudopotentials are constructed in the Kleinman-Bylander form; however, our method is applicable to all separable pseudopotentials, such as ONCV pseudopotentials. Here, we perform plane-wave convergence tests according to SSSP standards and show that the modifications to the local potential leave plane-wave convergence unchanged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Magnetotransport Anomaly in Room-Temperature Ferrimagnetic NiCo 2 O 4 Thin Films

The inverse spinel ferrimagnetic NiCo 2 O 4 presents a unique model system for studying the competing effects of crystalline fields, magnetic exchange, and various types of chemical and lattice disorder on the electronic and magnetic states. Here, magnetotransport anomalies in high–quality epitaxial NiCo 2 O 4 thin films resulting from the complex energy landscape are reported. A strong out–of–plane magnetic anisotropy, linear magnetoresistance, and robust anomalous Hall effect above 300 K are observed in 5–30 unit cell NiCo 2 O 4 films. The anomalous Hall resistance exhibits a nonmonotonic temperature dependence that peaks around room temperature, and reverses its sign at low temperature in films thinner than 20 unit cells. The scaling relation between the anomalous Hall conductivity and longitudinal conductivity reveals the intricate interplay between the spin–dependent impurity scattering, band intrinsic Berry phase effect, and electron correlation. Here, this study provides important insights into the functional design of NiCo 2 O 4 for developing spinel–based spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Air-Coupled Nondestructive Evaluation Dissected

This work develops a two-dimensional theoretical model to simulate the behavior of a fully non-contact air-coupled nondestructive evaluation system for a thin isotropic plate. The model is divided into transmission, guided wave propagation and reception phase. The validation of the complete model was carried out by modeling the same system by means of finite element method using a Multiphysics software. In addition, the dependency of the generated Lamb waves on different transmitter’s parameters and incidence angle is thoroughly investigated. The results of the acoustic pressure excited by the transducer, the out-of-plane velocity amplitudes for the generated first antisymmetric Lamb wave mode, and the radiated pressure from the plate caused by the leaky Lamb wavefield were all compared between the two models and a reasonable degree of similarity was found.

42 ENGINEERING↗
DOE OSTI2021

Role of surface diffusion in formation of unique reactivity for graphite oxidation: Time-resolved measurements in a pulsed diffusion reactor

Quantification of oxidation kinetics is essential to develop graphitic materials for diverse applications: from refractories found in gas-cooled nuclear reactors to catalysts needed for chemical manufacturing. In this work, using well-defined highly oriented pyrolytic graphite, low-pressure isotopic transient experiments combined with controlled annealing periods, we resolve the role of surface diffusion and quantify oxidation kinetics with nanomole-precision. We observe an unexpected increase in reactivity following annealing which is explained by the role of surface diffusion increasing the probability for trapping mobile oxygen at more reactive edge sites. Here, the locus of adsorption and spillover to the basal plane is distinct from the trapping location creating a more active oxygen species. Isotopic products reflect the population dynamics of oxygen added at the edge and surface diffusion that relocates basal plane oxygen to more reactive edge sites. Since this process proceeds in parallel with direct oxidation reactions, it is not likely to be observed using steady-state or conventional ‘bulk’ characterization techniques. Our unique time-resolved non-equilibrium measurement in a well-defined transport regime, enables observation of three distinct behaviors: short-term deactivation due to the balance of rates in oxygen supply/product formation, reactivity increases due to surface diffusion and longer-term reactivity increase with oxygen accumulation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Spin–orbit torque switching of a ferromagnet with picosecond electrical pulses

The development of approaches that can efficiently control the magnetization of magnetic materials is central to the creation of fast and low-power spintronic devices. Spin transfer torque can be used to electrically manipulate magnetic order in devices, but is typically limited to nanosecond timescales. Alternatively, spin–orbit torque can be employed, and switching with current pulses down to ~200 ps has been demonstrated. However, the upper limit to magnetization switching speed remains unestablished. Here, we show that photoconductive switches can be used to apply 6-ps-wide electrical pulses and deterministically switch the out-of-plane magnetization of a common thin cobalt film via spin–orbit torque. We probe the ultrafast magnetization dynamics due to spin–orbit torques with sub-picosecond resolution using the time-resolved magneto-optical Kerr effect (MOKE). We also estimate that the magnetization switching consumes less than 50 pJ in micrometre-sized devices.

42 ENGINEERING↗
DOE OSTI2023

Tunable quantum anomalous Hall effects in ferromagnetic van der Waals heterostructures

ABSTRACT The quantum anomalous Hall effect (QAHE) has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological properties for building functional devices. Through systematic first-principles calculations, we predict that the in-plane magnetization induced QAHE with Chern numbers C = ±1 and the out-of-plane magnetization induced QAHE with high Chern numbers C = ±3 can be realized in a single material candidate, which is composed of van der Waals (vdW) coupled Bi and MnBi2Te4 monolayers. The switching between different phases of QAHE can be controlled in multiple ways, such as applying strain or (weak) magnetic field or twisting the vdW materials. The prediction of an experimentally available material system hosting robust, highly tunable QAHE will stimulate great research interest in the field. Our work opens a new avenue for the realization of tunable QAHE and provides a practical material platform for the development of topological electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Parity violation and dynamical relativistic effects in ($\vec e, e' N$) reactions

It is well known that coincidence quasielastic ($\vec e, e' N$) reactions are not appropriate to analyze effects linked to parity violation due the presence of the fifth electromagnetic response R TL' . Nevertheless, in this work we develop a fully relativistic approach to be applied to parity-violating (PV) quasielastic ($\vec e, e' N$) processes. This is of importance as a preliminary step in the subsequent study of inclusive quasielastic PV ($\vec e, e' N$) reactions. Moreover, our present analysis allows us to disentangle effects associated with the off-shell character of nucleons in nuclei, gauge ambiguities, and the role played by the lower components in the nucleon wave functions, i.e., dynamical relativistic effects. This study can help in getting clear information on PV effects. Particular attention is paid to the relativistic plane-wave impulse approximation where the explicit expressions for the PV single-nucleon responses are shown for the first time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Implementations and Evaluations of Wind Turbine Inertial Controls With FAST and Digital Real-Time Simulations

This paper presents a novel simulation approach to evaluate new ancillary service controls in the context of large-scale wind power integration. We adopt and compare different types of turbine inertial control methods with the proposed modifications to cope with realistic wind conditions in the field. The simulation procedure is started with the software-based simulation, in which we employ the high-fidelity wind turbine simulator FAST that models a real three-bladed controls advanced research turbine (CART3). The advantages of using FAST are that it can provide convincing simulation results and address the interactions between turbine electrical and mechanical systems. The developed controller model is then rapidly prototyped for the real-time simulation with the hardware-in-the-loop scheme. CART3 will respond to a virtual frequency event triggered in the emulated electric grid modeled in a digital real-time simulator. The introduced simulation platform streamlines the procedure of designing turbine auxiliary controls, and these simulations results give insights on the turbine controls and their impacts on the interconnected power system, as well as the effects on turbine mechanical components. For example, the results indicate that the inertial controls tend to reduce the out-of-plane mechanical loadings in region 2, while such loadings are dominated by the pitch actions in region 3.

17 WIND ENERGY↗
DOE OSTI2019

Deformation of Granular Material under Continuous Rotation of Stress Principal Axes

The mechanical response of granular material to the rotation of stress principal axes is an issue of both practical and theoretical importance in soil mechanics. This study used a two-dimensional (2D) discrete-element method (DEM) simulation to investigate the deformation of granular material under the continuous rotation of stress principal axes while maintaining fixed principal stress values. The results show that under such rotation, the deformation can exceed that caused by fixed principal stress axes cyclic biaxial compression with a maximum deviatoric stress ratio that equals the fixed stress ratio during rotation. The volumetric strain was found to be contractive overall while oscillating within each load cycle for specimens with significant fabric anisotropy. Here, the initial fabric-anisotropy orientation was found to have little influence on the overall evolution of volumetric strain, although it was found to affect the development of shear strain. During the cycles of rotation of initial stress principal axes, the dilatancy of granular material, in the contractive direction, was found to be dominated by the evolving orientation of the major principal stress axis in reference to the initial major principal stress axis during anisotropic consolidation, and the influence of the initial fabric-anisotropy orientation was found to be trivial. As stress rotation continued, the influence of the relative orientation between stress and fabric became prominent, causing the material to dilate when the major principal stress axis rotated from the normal of the bedding plane to being perpendicular to it and causing contraction during the other half of the cycle.

58 GEOSCIENCES↗
DOE OSTI2023

Structural, optical, and thermal properties of BN thin films grown on diamond via pulsed laser deposition

Heterostructures based on ultrawide-bandgap (UWBG) semiconductors (bandgap > 4.0 eV), such as BN and diamond, hold significant importance for the development of high-power electronics in the next generation. However, achieving in situ heteroepitaxy of BN/diamond or vice versa remains exceptionally challenging due to the complex growth kinetics involved. In this work, we grew BN thin film on (100) single-crystal diamonds using pulsed laser deposition and investigated its structural, magnetic, optical, and thermal properties. Throughout this study, the structural analyses confirmed the growth of BN films, which exhibited diamagnetic behavior at room temperature. Notably, the film demonstrated anisotropic refractive index characteristics within the visible-to-near-infrared wavelength range. The room-temperature cross-plane thermal conductivity of BN is 1.53 ± 0.77 W/mK, while the thermal conductance of the BN/diamond interface is 20 ± 2 MW/m 2 ⁢K. These findings have significant implications for a range of device applications based on UWBG BN/diamond heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

First observations of solar halo gamma rays over a full solar cycle

We analyze 15 years of Fermi-LAT data and produce a detailed model of the Sun’s inverse-Compton scattering emission (solar halo), which is powered by interactions between ambient cosmic-ray electrons and positrons with sunlight. By developing a novel analysis method to analyze moving sources, we robustly detect the solar halo at energies between 31.6 MeV and 100 GeV, and angular extensions up to 45° from the Sun, providing new insight into spatial regions where there are no direct measurements of the Galactic cosmic-ray flux. The large statistical significance of our signal allows us to subdivide the data and provide the first 𝛾-ray probes into the time variation and azimuthal asymmetry of the solar modulation potential, finding time-dependent changes in solar modulation both parallel and perpendicular to the ecliptic plane. Our results are consistent with (but with independent uncertainties from) local cosmic-ray measurements, unlocking new probes into astrophysical processes near the solar surface.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Asymmetric hot-carrier thermalization and broadband photoresponse in graphene-2D semiconductor lateral heterojunctions

The massless Dirac electron transport in graphene has led to a variety of unique light-matter interaction phenomena, which promise many novel optoelectronic applications. Most of the effects are only accessible by breaking the spatial symmetry, through introducing edges, p-n junctions, or heterogeneous interfaces. The recent development of direct synthesis of lateral heterostructures offers new opportunities to achieve the desired asymmetry. As a proof of concept, we study the photothermoelectric effect in an asymmetric lateral heterojunction between the Dirac semimetallic monolayer graphene and the parabolic semiconducting monolayer MoS 2 . Very different hot-carrier cooling mechanisms on the graphene and the MoS 2 sides allow us to resolve the asymmetric thermalization pathways of photoinduced hot carriers spatially with electrostatic gate tunability. We also demonstrate the potential of graphene-2D semiconductor lateral heterojunctions as broadband infrared photodetectors. The proposed structure shows an extreme in-plane asymmetry and provides a new platform to study light-matter interactions in low-dimensional systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Development of 4.0 μm thick film REBCO tapes with length over 10 m by Ohmic heating technique

High-temperature superconducting REBCO (RE-(Gd,Y)Ba 2 Cu 3 O 7-δ ) coated conductor has an immense potential to enable magnetic fields above 20 T because of its high current-carrying capacity, high irreversibility field, and good mechanical properties. Advanced metal organic chemical vapor deposition (A-MOCVD) reactor with ohmic heating has been developed to grow long-length, thick film REBCO tapes in a single pass with superior in-field performance. Multiple long-length 5% Zr doped REBCO tapes with film thickness ranging from 1-4 µm have been produced in an A-MOCVD reactor. The critical current density (J c ) of these conductors has been examined by scanning hall probe microscopy. REBCO coated conductors with ~4 µm thickness exhibit magnetization J c >1.5 MA/cm 2 at 65 K, 1.5 T and 5.4 MA/cm 2 at 4.2 K, 13 T. As a result, the microstructure, out-of-plane and in-plane texture of REBCO coated conductors are also presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Probing Oxidation-Driven Amorphized Surfaces in a Ta(110) Film for Superconducting Qubit

Recent advances in superconducting qubit technology have led to significant progress in quantum computing, but the challenge of achieving a long coherence time remains. Despite the excellent lifetime performance that tantalum (Ta) based qubits have demonstrated to date, the majority of superconducting qubit systems, including Ta-based qubits, are generally believed to have uncontrolled surface oxidation as the primary source of the two-level system loss in two-dimensional transmon qubits. Therefore, atomic-scale insight into the surface oxidation process is needed to make progress toward a practical quantum processor. Here, in this study, the surface oxidation mechanism of native Ta films and its potential impact on the lifetime of superconducting qubits were investigated using advanced scanning transmission electron microscopy (STEM) techniques combined with density functional theory calculations. The results suggest an atomistic model of the oxidized Ta(110) surface, showing that oxygen atoms tend to penetrate the Ta surface and accumulate between the two outermost Ta atomic planes; oxygen accumulation at the level exceeding a 1:1 O/Ta ratio drives disordering and, eventually, the formation of an amorphous Ta 2 O 5 phase. In addition, we discuss how the formation of a noninsulating ordered TaO 1–δ (δ < 0.1) suboxide layer could further contribute to the losses of superconducting qubits. Subsurface oxidation leads to charge redistribution and electric polarization, potentially causing quasiparticle loss and decreased current-carrying capacity, thus affecting superconducting qubit coherence. The findings enhance the comprehension of the realistic factors that might influence the performance of superconducting qubits, thus providing valuable guidance for the development of future quantum computing hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Manipulating topological transformations of polar structures through real-time observation of the dynamic polarization evolution

Topological structures based on controllable ferroelectric or ferromagnetic domain configurations offer the opportunity to develop microelectronic devices such as high-density memories. Despite the increasing experimental and theoretical insights into various domain structures (such as polar spirals, polar wave, polar vortex) over the past decade, manipulating the topological transformations of polar structures and comprehensively understanding its underlying mechanism remains lacking. By conducting an in-situ non-contact bias technique, here we systematically investigate the real-time topological transformations of polar structures in PbTiO 3 /SrTiO 3 multilayers at an atomic level. The procedure of vortex pair splitting and the transformation from polar vortex to polar wave and out-of-plane polarization are observed step by step. Furthermore, the redistribution of charge in various topological structures has been demonstrated under an external bias. This provides new insights for the symbiosis of polar and charge and offers an opportunity for a new generation of microelectronic devices.

Science & Technology - Other Topics↗