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At least 469 records · Page 26

All sources NASA NTRS DOE OSTI

DOE OSTI2015

Ultraviolet-enhanced light emitting diode employing individual ZnO microwire with SiO{sub 2} barrier layers

This paper details the fabrication of n-ZnO single microwire (SMW)-based high-purity ultraviolet light-emitting diodes (UV-LEDs) with an added SiO{sub 2} barrier layer on the p-Si substrate. However, the current-voltage (I-V) curve exhibited non-ideal rectifying characteristics. Under forward bias, both UV and visible emissions could be detected by electroluminescence (EL) measurement. When bias voltage reached 60 V at room temperature, a UV emission spike occurred at 390 nm originating from the n-ZnO SMW. Compared with the EL spectrum of the n-ZnO SMW/p-Si heterojunction device without the SiO{sub 2} barrier layer, we saw improved UV light extraction efficiency from the current-blocking effect of the SiO{sub 2} layer. The intense UV emission in the n-ZnO SMW/SiO{sub 2}/p-Si heterojunction indicated that the SiO{sub 2} barrier layer can restrict the movement of electrons as expected and result in effective electron-hole recombination in ZnO SMW.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Level crossings, excess times, and transient plasma–wall interactions in fusion plasmas

Based on a stochastic model for intermittent fluctuations in the boundary region of magnetically confined plasmas, an expression for the level crossing rate is derived from the joint distribution of the process and its derivative. From this the average time spent by the process above a certain threshold level is obtained. This provides novel predictions of plasma–wall interactions due to transient transport events associated with a radial motion of blob-like structures in the scrape-off layer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1992

Effects of g-jitter and cross-diffusion on the onset of convection in doubly diffusive systems

The effects of a modulated gravity field in doubly diffusive layers with and without cross-diffusion are studied. Attention is focused on the determination of linear stability criteria for such systems. Floquet theory is used to establish the stability criteria by a systematic analysis of the topology of the neutral curves from which stability boundaries can be constructed. Convective stability boundaries for gravity-modulated doubly cross-diffusive systems are presented for the cases of dynamically free and rigid boundaries. Two physically different forms of layer stratification are considered: (1) imposed independent gradients of two components and (2) a solute gradient induced by a fixed temperature gradient.

Terrones, Guillermo↗

NASA NTRS1992

Mach number effects on free and wall turbulent structures in light of instability flow interactions

Our perception of fluid instabilities and turbulence is largely based on properties of incompressible vorticity distributions, omega, and the Biot-Savart Law of 'instantaneous' induction at distance. In high-speed shear layers it is the distribution of local angular momentum rho-omega that matters; modified interaction-induction between vortical elements is likely to take place only within relative Mach cones of influence, with acoustic time delay. This and the large mean density stratifications influence strongly instability vortex roll-ups, vortex mergings, and large-scale turbulent structures. Consequences of these observations on transition to turbulence and turbulence energetics are discussed in physical terms. Free shear layers and wall layers may require distinct M modeling.

Morkovin, Mark V.↗

DOE OSTI2015

Quasi-two-dimensional electron gas at the interface of γ-Al{sub 2}O{sub 3}/SrTiO{sub 3} heterostructures grown by atomic layer deposition

We report the formation of a quasi-two-dimensional electron gas (2-DEG) at the interface of γ-Al{sub 2}O{sub 3}/TiO{sub 2}-terminated SrTiO{sub 3} (STO) grown by atomic layer deposition (ALD). The ALD growth of Al{sub 2}O{sub 3} on STO(001) single crystal substrates was performed at temperatures in the range of 200–345 °C. Trimethylaluminum and water were used as co-reactants. In situ reflection high energy electron diffraction, ex situ x-ray diffraction, and ex situ cross-sectional transmission electron microscopy were used to determine the crystallinity of the Al{sub 2}O{sub 3} films. As-deposited Al{sub 2}O{sub 3} films grown above 300 °C were crystalline with the γ-Al{sub 2}O{sub 3} phase. In situ x-ray photoelectron spectroscopy was used to characterize the Al{sub 2}O{sub 3}/STO interface, indicating that a Ti{sup 3+} feature in the Ti 2p spectrum of STO was formed after 2–3 ALD cycles of Al{sub 2}O{sub 3} at 345 °C and even after the exposure to trimethylaluminum alone at 300 and 345 °C. The interface quasi-2-DEG is metallic and exhibits mobility values of ∼4 and 3000 cm{sup 2} V{sup −1} s{sup −1} at room temperature and 15 K, respectively. The interfacial conductivity depended on the thickness of the Al{sub 2}O{sub 3} layer. The Ti{sup 3+} signal originated from the near-interfacial region and vanished after annealing in an oxygen environment.

36 MATERIALS SCIENCE↗

NASA NTRS2018

Modification of Radiator Pigments by Atomic Layer Deposition (ALD)

The optical and physical properties of spacecraft radiator coatings are dictated by orbital environmental conditions. For example, coatings must adequately dissipate charge buildup when orbital conditions, such as polar, geostationary or gravity neutral, result in surface charging. Current dissipation techniques include depositing a layer of ITO (indium tin oxide) on the radiator surface in a high temperature process. Other examples include the application of variable emittance coatings such as the use of VO2 to optimize radiator size, allowing for a decrease in heater power budget. The application of these enhanced coatings must be such that the properties in question are tailored to mission-specific requirements. Modification of these coatings can be accomplished during coating application preprocessing by using a deposition technique prevalent in the semiconductor micro processing industry called Atomic Layer Deposition (ALD). The preprocessing is rendered directly on the coating dry pigment before binding. ALD is a cost effective nano-manufacturing technique that allows for the conformal coating of substrates with atomic-level thickness control in a benign temperature and pressure environment. Through the introduction of paired precursor gases, thin films can be deposited on a myriad of substrates ranging from glass, polymers, aerogels, metals, powders, and other high aspect-ratio micro- and nano-structures. By providing atomic-level control, where single layers of atoms can be deposited, the fabrication of metal transparent films, precise nano-laminates, and coatings of nano-channels and pores is achievable. We have demonstrated a method for the ALD of In2O3 and ITO films on a variety of substrates from Si(100) wafers, glass slides, and on Z93P pigments (patent pending). The results indicate excellent growth of 4-22 nm thick films demonstrating an order of magnitude decrease in resistivity on the pigments.

ITO↗

DOE OSTI2015

A matching approach to communicate through the plasma sheath surrounding a hypersonic vehicle

In order to overcome the communication blackout problem suffered by hypersonic vehicles, a matching approach has been proposed for the first time in this paper. It utilizes a double-positive (DPS) material layer surrounding a hypersonic vehicle antenna to match with the plasma sheath enclosing the vehicle. Analytical analysis and numerical results indicate a resonance between the matched layer and the plasma sheath will be formed to mitigate the blackout problem in some conditions. The calculated results present a perfect radiated performance of the antenna, when the match is exactly built between these two layers. The effects of the parameters of the plasma sheath have been researched by numerical methods. Based on these results, the proposed approach is easier to realize and more flexible to the varying radiated conditions in hypersonic flight comparing with other methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Recent Advances in Continuum Modeling of Interfacial and Transport Phenomena in Electric Double Layer Capacitors

Here, whis paper reviews recent advances in physical modeling of interfacial and transport phenomena in electric double layer capacitors (EDLCs) under both equilibrium and dynamic cycling. The models are based on continuum theory and account for (i) the Stern layer at the electrode/electrolyte interface, (ii) finite ion sizes, (iii) steric repulsions, (iv) asymmetric electrolytes featuring ions with different valencies, effective diameters, or diffusion coefficients, (v) electric-field-dependent dielectric permittivity of the electrolyte, and/or (vi) porous three-dimensional morphology of the electrodes. Typical characterization methods such as electrochemical impedance spectroscopy, cyclic voltammetry, and galvanostatic cycling were reproduced numerically to identify the dominant physical phenomena and to gain insight into experimental observations. In addition, recent thermal models derived from first principles for EDLCs under constant-current cycling accounting for irreversible Joule heating and reversible heat generation rates due to ion diffusion, steric effects, and changes in entropy are discussed. Scaling analyses of both equilibrium and dynamic models are also presented as a way to identify self-similar and asymptotic behaviors as well as to develop design rules for electrodes and electrolytes of next generation EDLCs. Throughout the document, special effort has been made to compare model predictions with experimental observations and reported data.

25 ENERGY STORAGE↗

DOE OSTI2020

Three-Dimensional Analysis of Particle Distribution on Filter Layers inside N95 Respirators by Deep Learning

The global COVID-19 pandemic has changed many aspects of daily lives. Wearing personal protective equipment, especially respirators (face masks), has become common for both the public and medical professionals, proving to be effective in preventing spread of the virus. Nevertheless, a detailed understanding of respirator filtration-layer internal structures and their physical configurations is lacking. Here, we report three-dimensional (3D) internal analysis of N95 filtration layers via X-ray tomography. Using deep learning methods, we uncover how the distribution and diameters of fibers within these layers directly affect contaminant particle filtration. The average porosity of the filter layers is found to be 89.1%. Contaminants are more efficiently captured by denser fiber regions, with fibers <1.8 μm in diameter being particularly effective, presumably because of the stronger electric field gradient on smaller diameter fibers. This study provides critical information for further development of N95-type respirators that combine high efficiency with good breathability.

42 ENGINEERING↗

DOE OSTI2024

Why Perovskite Thermal Stress is Unaffected by Thin Contact Layers

Metal halide perovskite photovoltaics have emerged as a high efficiency, low-cost alternative that can potentially rival or enhance conventional silicon technology. Despite exceptional initial power conversion efficiencies, achieving compliance with international standards and widespread adoption requires further enhancements to their operational stability. Notably, addressing mechanical strain and stress in brittle perovskites has emerged as a pivotal approach to mitigate chemical degradation and improve reliability during thermal cycling. Here, in this study, a popularized strain engineering strategy is investigated in which a high coefficient of thermal expansion (CTE) hole transport layer (i.e., PDCBT) is cast onto inorganic perovskite (CsPbI 2 Br) at 100 °C. Contrary to previously published results, the X-ray diffraction (XRD):Sin 2 ψ and substrate curvature measurement techniques show that the hole transport layer has no discernible impact on perovskite strain. The accuracy of the XRD:Sin 2 ψ method for measuring strain is highlighted in contrast to an analysis based on shifts of single XRD peaks which can be influenced by multiple artifacts. The findings in this study are in accordance with mechanics theory: thin layers are unable to induce significant strain changes in perovskite thin films as the force they apply is negligible compared to that applied by a thick and stiff substrate.

14 SOLAR ENERGY↗

DOE OSTI2023

Phase composition of polycrystalline HfNx (0.45 ≤ x ≤ 1.60) and effects of low-energy ion irradiation on microstructure, texture, and physical properties

We have investigated the phase composition of HfNx as a function of x and the effects of low-energy ion irradiation on the microstructure and physical properties of polycrystalline layers grown on SiO2 at 350 °C by ultrahigh vacuum reactive dc magnetron sputtering of Hf in mixed N2/Ar discharges. X-ray diffraction and Rutherford backscattering spectrometry results show that the phases obtained in polycrystalline HfNx layers with increasing x are hcp-structure α-Hf:N (x ≲ 0.6); multiphase mixtures consisting of α-Hf, NaCl-structure δ-HfN, rhombohedral ɛ-Hf3N2, and/or ζ-Hf4N3 (0.6 ≲ x ≲ 0.9); δ-HfN single phase (0.9 ≲ x ≲ 1.3); and mixtures of δ-HfN and higher nitrides (x ≳ 1.3). HfNx layers with 0.9 ≲ x ≲ 1.2 grown under mild ion irradiation (incident ion energy Ei ≃ 7 eV and ion-to-Hf flux ratios Ji/JHf = 1−3) are underdense with mixed orientation, low in-plane stress, and rough surface morphology due to limited adatom mobilities resulting in kinetic roughening and atomic shadowing during film growth. However, the use of intense ion irradiation (Ei = 25 eV and Ji/JHf = 4−20) results in HfNx layers, which are fully dense with strongly 111-oriented texture, compressive in-plane stress, and smooth surfaces due to ion irradiation enhanced adatom surface mobilities. In addition, the latter films have lower resistivity and higher hardness. For stoichiometric δ-HfN layers, ρ decreases from 69.7 to 35.2 μΩ cm and H increases from 22.1 to 27.4 GPa, with increasing ion-irradiation intensity. However, for HfNx layers with 1.2 ≲ x ≲ 1.6, the correspondingly higher steady state atomic N surface coverages during deposition alter growth kinetics in favor of 001 texture with a fully dense structure and compressive in-plane stress.

Materials Science↗

DOE OSTI2016

First-principles studies of electric field effects on the electronic structure of trilayer graphene

A gate electric field is a powerful way to manipulate the physical properties of nanojunctions made of two-dimensional crystals. To simulate field effects on the electronic structure of trilayer graphene, we used density functional theory in combination with the effective screening medium method, which enables us to understand the field-dependent layer-layer interactions and the fundamental physics underlying band gap variations and the resulting band modifications. Two different graphene stacking orders, Bernal (or ABC) and rhombohedral (or ABA), were considered. In addition to confirming the experimentally observed band gap opening in ABC-stacked and the band overlap in ABA-stacked trilayer systems, our results reveal rich physics in these fascinating systems, where layer-layer couplings are present but some characteristics features of single-layer graphene are partially preserved. For ABC stacking, the electric-field-induced band gap size can be tuned by charge doping, while for ABA band the tunable quantity is the band overlap. Our calculations show that the electronic structures of the two stacking orders respond very differently to charge doping. We find that in the ABA stacking hole doping can reopen a band gap in the band-overlapping region, a phenomenon distinctly different from electron doping. The physical origins of the observed behaviors were fully analyzed, and we conclude that the dual-gate configuration greatly enhances the tunability of the trilayer systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Vortex jump behavior in coupled nanomagnetic heterostructures

The spin configuration and magnetic behavior in patterned nanostructures can be controlled by manipulating the interplay between the competing energy terms. This in turn requires fundamental knowledge of the magnetic interactions at the local nanometer scale. Here in this article, we report on the spin structure and magnetization behavior of patterned discs containing exchange coupled ferromagnetic layers with additional exchange bias to an antiferromagnetic layer. The magnetization reversal was explored by direct local visualization of the domain behavior using in-situ Lorentz transmission electron microscopy, from which quantitative magnetic induction maps were reconstructed. The roles of the main competing energy terms were elucidated and the reversal mechanism was identified as a coupled phenomenon of incoherent rotation in the exchange-biased layer and localized vortex nucleation and discontinuous propagation in the free layer, including an anomalous jump in the trajectory. The observations were supported by micromagnetic simulations and modeled phase shift simulations. In conclusion, the work presented here provides fundamental insights into opportunities for macroscopic control of the energy landscape of magnetic heterostructures for functional applications.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Self-similarity of scalar isosurface area density in a temporal mixing layer

Understanding the behaviour of scalar isosurfaces in a turbulent flow is of particular interest for many problems in turbulent mixing that contain sharp interfaces between regions of the flow. Common examples include combustion, where the chemical reactions occur in thin regions within the flow, and the turbulent/non-turbulent interface in shear flows, where a thin region separates the rotational, turbulent motions from the irrotational, non-turbulent background. Recent advances in computing technology allow for in-depth analysis of these interface problems that are difficult to quantify in a laboratory setting. In this paper, the results of a direct numerical simulation of a passive scalar $\varPhi$ evolving on a turbulent, temporally developing mixing layer are described. A novel approach has been taken to calculate the surface area of individual scalar isosurfaces, $A_{iso}$ , throughout the simulation, as well as the mean isosurface area density, $\varSigma$ , as a function of the cross-stream direction and time. A notable finding is that the profiles of $\varSigma$ develop in a self-similar manner when scaled by the Taylor scale of the scalar field, $\lambda _\phi$ . Remarkably, the scaling appears to hold for a wide range of isovalues. A rough scaling argument based on the formal definition of $\varSigma$ and properties of a temporal mixing layer is presented which also exposes a dependence on $\lambda _\phi$ . Based on these results, a possible scaling for the isosurface area is presented as $A_{iso}/A_0 \sim (Re \, Sc)^{1/2}$ , where $Re$ and $Sc$ are local Reynolds and Schmidt numbers, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

Characterization and modeling of a ZnO nanowire ultraviolet photodetector with graphene transparent contact

We report the demonstration of a ZnO nanowire ultraviolet photodetector with a top transparent electrode made of a few-layered graphene sheet. The nanowires have been synthesized using a low-cost electrodeposition method. The detector is shown to be visible-blind and to present a responsivity larger than 10{sup 4} A/W in the near ultraviolet range thanks to a high photoconductive gain in ZnO nanowires. The device exhibits a peak responsivity at 370 nm wavelength and shows a sub bandgap response down to 415 nm explained by an Urbach tail with a characteristic energy of 83 meV. The temporal response of the detector and the power dependence are discussed. A model of the photoconductive mechanism is proposed showing that the main process responsible for the photoconductive gain is the modulation of the conducting surface due to the variation of the surface depletion layer and not the reduction of recombination efficiency stemming from the electron-hole spatial separation. The gain is predicted to decrease at high incident power due to the flattening of the lateral band bending in agreement with experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

A note on convective heat transfer of an MHD Jeffrey fluid over a stretching sheet

This article focuses on the exact solution regarding convective heat transfer of a magnetohydrodynamic (MHD) Jeffrey fluid over a stretching sheet. The effects of joule and viscous dissipation, internal heat source/sink and thermal radiation on the heat transfer characteristics are taken in account in the presence of a transverse magnetic field for two types of boundary heating process namely prescribed power law surface temperature (PST) and prescribed heat flux (PHF). Similarity transformations are used to reduce the governing non-linear momentum and thermal boundary layer equations into a set of ordinary differential equations. The exact solutions of the reduced ordinary differential equations are developed in the form of confluent hypergeometric function. The influence of the pertinent parameters on the temperature profile is examined. In addition the results for the wall temperature gradient are also discussed in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2019

The Effect of Incoming Boundary Layer Characteristics on the Performance of a Distributed Propulsion System

An experimental study is conducted in an effort to advance the understanding of flow physics associated with a boundary layer ingesting, distributed propulsion system. The influence of incoming boundary layer thickness and flow distortions are studied on the flow downstream and the overall performance of the system. The propulsion model, fabricated using additive manufacturing and integrated with electrical fans, is mounted on a flat plate and tested at subsonic speeds. Detailed characterization of the incoming boundary layer and subsequent assessment of the downstream flow field is performed using hotwire anemometry. Modification of the incoming boundary layer is achieved by placing tripping devices, such as rods and vortex generating ramps, near the leading edge of the flat plate. The overall performance of the system for different incoming flow conditions is analyzed by comparing magnitudes of exhaust velocities as well as estimated propulsive power to the corresponding baseline values. For a constant input power to the fans, smaller upstream flow distortions and moderately thickened boundary layers result in marginal changes in the flow field downstream. On the other hand, notable reductions in downstream flow velocities and propulsive power are observed in the case of a significantly thicker and/or distorted incoming boundary layer. It is hoped that this study will serve as a database for this technologically relevant flow field that has not been explored adequately before.

Propulsion↗

DOE OSTI2018

Structure, Polarization, and Sum Frequency Generation Spectrum of Interfacial Water on Anatase TiO 2

The photocatalytic activity of TiO 2 for water splitting has been known for decades, yet the adsorption structure and hydrogen bonding of water at the interface with TiO 2 have remained controversial. We investigate the prototypical aqueous interface with anatase TiO 2 (101) using ab initio molecular dynamics (AIMD) with the strongly constrained and appropriately normed (SCAN) density functional, recently shown to provide an excellent description of the properties of bulk liquid water. We find that water forms a stable bilayer of intact molecules with ice-like dynamics and enhanced dipole moment and polarizability on the anatase surface. Here, the orientational order and H-bond environment of interfacial water are reflected in the computed sum frequency generation (SFG) spectrum, which agrees well with recent measurements in the OH stretching frequency range (3000–3600 cm –1 ). Additional AIMD simulations for a model interface with 66% of dissociated water in the contact layer show that surface hydroxyls disrupt the order in the bilayer and lead to a much faster orientational dynamics of interfacial water. Nonetheless, the computed SFG spectrum for the hydroxylated surface also agrees with experiment, suggesting that SFG measurements in a wider frequency range would be necessary to unambiguously identify the character of interfacial water on anatase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗