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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Dynamics and control of coherent structures in the turbulent wall layer: An overview

We expand the velocity field in the vicinity of the wall in empirical eigenfunctions obtained from experiment. Truncating our system and using Galerkin projection, we obtain a closed set of non-linear ordinary differential equations with ten degrees of freedom. We find a rich dynamical behavior, including in particular a heteroclinic attracting orbit giving rise to intermittency. The intermittent jump from one attracting point to the other resembles in many respects the bursts observed in experiments. Specifically, the time between jumps and the duration of the jumps, is approximately that observed in a burst; the jump begins with the formation of a narrowed and intensified updraft, like the ejection phase of a burst, and is followed by a gentle, diffuse downdraft like the sweep phase of a burst. The magnitude of the Reynolds stress spike produced during a burst is limited by our truncation. The behavior is quite robust, much of it being due to the symmetries present (Aubry's group has examined dimensions up to 128 with persistence of the global behavior). We have examined eigenvalues and coefficients obtained from experiment, and from exact simulation, which differ in magnitude. Similar behavior is obtained in both cases; in the latter case, the heteroclinic orbits connect limit cycles instead of fixed points, corresponding to cross-stream waving of the streamwise rolls. The bifurcation diagram remains structurally similar, but somewhat distorted. The role of the pressure term is made clear - it triggers the intermittent jumps, which otherwise would occur at longer and longer intervals, as the system trajectory is attracted closer and closer to the heteroclinic cycle. The pressure term results in the jumps occurring at essentially random times, and the magnitude of the signal determines the average timing. Stretching of the wall region shows that the model is consistent with observations of polymer drag reduction. Change of the third order coefficients, corresponding to acceleration or deceleration of the mean flow, changes the heteroclinic cycles from attracting to repelling, increasing or decreasing the stability, in agreement with observations. The existence of fixed points is an artifact introduced by the projection; however, a decoupled model still displays the rich dynamics. Numerous assumptions made in Aubry et al. (1988) can now be proved exactly. Feeding back eigenfuncitons with the proper phase can delay the bursting, (the heteroclinic jump to the other fixed point), decreasing the drag. It is also possible to speed up the bursting, increasing mixing to control separation. Our approach is optimal for short time tracking in control.

Berkooz, Gal↗
DOE OSTI2025

Single photon emitters in van der Waals solids for quantum photonics: materials, theory and molecular-scale characterization probes

Strong light–matter interactions in two-dimensional layered materials (2D materials) have attracted the interest of researchers from interdisciplinary fields for more than a decade now. A unique phenomenon in some 2D materials is their large exciton binding energies (BEs), increasing the likelihood of exciton survival at room temperature. It is this large BE that mediates the intense light–matter interactions of many of the 2D materials, particularly in their monolayer limit, where the interplay of excitonic phenomena poses a wealth of opportunities for high-performance optoelectronics and quantum photonics. Within quantum photonics, quantum information science (QIS) is growing rapidly, where photons are a promising platform for information processing due to their low-noise properties, excellent modal control, and long-distance propagation. A central element for QIS applications is a single photon emitter (SPE) source, where an ideal on-demand SPE emits exactly one photon at a time into a given spatiotemporal mode. Recently, 2D materials have shown practical appeal for QIS which is directly driven from their unique layered crystalline structure. This structural attribute of 2D materials facilitates their integration with optical elements more easily than the SPEs in conventional three-dimensional solid state materials, such as diamond and SiC. In this review article, we will discuss recent advances made with 2D materials towards their use as quantum emitters, where the SPE emission properties maybe modulated deterministically. Here, the use of unique scanning tunneling microscopy tools for the in-situ generation and characterization of defects is presented, along with theoretical first-principles frameworks and machine learning approaches to model the structure-property relationship of exciton–defect interactions within the lattice towards SPEs. Given the rapid progress made in this area, the SPEs in 2D materials are emerging as promising sources of nonclassical light emitters, well-poised to advance quantum photonics in the future.

2D layered materials↗
NASA NTRS1980

Structure of the low latitude boundary layer

Observations at high temporal resolution of the frontside magnetopause and plasma boundary layer, made with the LASL/MPE fast plasma analyzer onboard the ISEE 1 and 2 spacecraft, revealed a complex quasiperiodic structure of some of the observed boundary layers. A cool tailward streaming boundary layer plasma was seen intermittently, with intervening periods of hot tenuous plasma which has properties similar to the magnetospheric population. While individual encounters with the boundary layer plasma last only a few minutes, the total observation time may extend over one hour or more.

Sckopke, N.↗
NASA NTRS1986

The split-cross-bridge resistor for measuring the sheet resistance, linewidth, and line spacing of conducting layers

A new test structure was developed for evaluating the line spacing between conductors on the same layer using an electrical measurement technique. This compact structure can also be used to measure the sheet resistance, linewidth, and line pitch of the conducting layer. Using an integrated-circuit fabrication process, this structure was fabricated in diffused polycrystalline silicon and metal layers and measured optically and electrically. For the techniques used, the optical measurements were typically one-quarter micron greater than the electrical measurements. Most electrically measured line pitch values were within 2 percent of the designed value. A small difference between the measured and designed line pitch is used to validate sheet resistance, linewidth, and line spacing values.

Buehler, M. G.↗
NASA NTRS2008

Using Piezoelectric Devices to Transmit Power through Walls

A method denoted wireless acoustic-electric feed-through (WAEF) has been conceived for transmitting power and/or data signals through walls or other solid objects made of a variety of elastic materials that could be electrically conductive or nonconductive. WAEF would make it unnecessary to use wires, optical fibers, tubes, or other discrete wall-penetrating signal-transmitting components, thereby eliminating the potential for structural weakening or leakage at such penetrations. Avoidance of such penetrations could be essential in some applications in which maintenance of pressure, vacuum, or chemical or biological isolation is required. In a basic WAEF setup, a transmitting piezoelectric transducer on one side of a wall would be driven at resonance to excite ultrasonic vibrations in the wall. A receiving piezoelectric transducer on the opposite side of the wall would convert the vibrations back to an ultrasonic AC electric signal, which would then be detected and otherwise processed in a manner that would depend on the modulation (if any) applied to the signal and whether the signal was used to transmit power, data, or both. An electromechanical-network model has been derived as a computationally efficient means of analyzing and designing a WAEF system. This model is a variant of a prior model, known in the piezoelectric-transducer art as Mason's equivalent-circuit model, in which the electrical and mechanical dynamics, including electromechanical couplings, are expressed as electrical circuit elements that can include inductors, capacitors, and lumped-parameter complex impedances. The real parts of the complex impedances are used to account for dielectric, mechanical, and coupling losses in all components (including all piezoelectric-transducer, wall, and intermediate material layers). In an application to a three-layer piezoelectric structure, this model was shown to yield the same results as do solutions of the wave equations of piezoelectricity and acoustic propagation in their full complexity.

Sherrit, Stewart↗
DOE OSTI2017

Structural and physical properties of the high pressure perovskite layered Sr{sub 4}Cr{sub 3}O{sub 10} chromate

We report on the structure and physical properties of a bidimensional chromate, Sr{sub 4}Cr{sub 3}O{sub 10}, the n=3 member of the Ruddlesden-Popper Sr{sub n+1}Cr{sub n}O{sub 3 n+1} series. For the first time, using complementary x-ray powder diffraction and electron diffraction data, we have solved its layered crystallographic structure. Our study shows also that this high pressure phase is insulating and antiferromagnetic below T{sub N}=280 K, a similar behavior already observed for n=1, 2 and n=+∞ members.

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

Optimization of catalyst-coated membranes for enhancing performance in proton exchange membrane electrolyzer cells

To achieve large-scale application of proton exchange membrane electrolyzer cells (PEMECs) for hydrogen production, it is highly desirable to reduce the manufacturing cost while enhancing cell performance. In the PEMPECs, a catalyst-coated membrane (CCM) is the vital component where electrochemical reactions and mass transport mainly occur. The fabrication methods and catalyst layer (CL) structure can significantly affect the cell performance. Herein, for the first time, a comparative study of CCM fabrications with decal transfer and direct spray deposition methods have been conducted by both ex-situ materials characterization and in-situ performance testing in PEMECs. It is found CCMs that are fabricated with a direct spray deposition method display enhanced cell performance compared to CCMs fabricated with a decal transfer method, mainly due to the largely reduced ohmic resistance and improved mass transport. More importantly, cell performance can be greatly enhanced by simply regulating the Nafion ionomer content at the anode CL. The optimal Nafion ionomer content of 10 wt% gives the best cell performance at 80 °C with a low cell voltage of 1.887 V at 2 A cm -2 , outperforming the commercial CCM and most other previous publications. Our study provides a valuable guidance for fabrication and optimization of CCMs with significantly enhanced performance and reduced cost for practical application of the PEMECs.

08 HYDROGEN↗
DOE OSTI2023

Ab Initio Simulations of Tritium Diffusion in Al-Rich Iron Aluminide Coating Phases

Surface coatings of steels used in extreme conditions and corrosive environments generally aim to provide protection and increased durability. In the case of tritium-producing burnable absorber rods (TPBARs) used in nuclear reactors, a 316 stainless steel has been coated with Al. Scanning transmission electron microscopy (STEM) characterization of the coating found three Al-rich (>60 atom % Al) iron aluminide alloys identified as hexagonal FeNiAl 5 , monoclinic Fe 4 Al 13 , and orthorhombic Fe 2 Al 5 . Density functional theory simulations using nudged elastic band have been performed to investigate the diffusion of interstitial tritium in each Al-rich iron aluminide phase. While FeNiAl 5 and Fe 4 Al 13 can be viewed as the stacking of two layers, the structural peculiarity of Fe 2 Al 5 is that channels of variable Al vacancy content are present along the c-axis. Therefore, three stoichiometries for Fe 2 Al x phase, namely, Fe 2 Al 4 , Fe 2 Al 5 , and Fe 2 Al 6 , have been considered to evaluate the impact of Al vacancy concentration on tritium diffusion behavior. Altogether, we found that at 600 K, tritium diffusion decreases from a faster rate in the channels of Fe 2 Al x phases (D T ≤ 10 –11 m 2 ·s –1 ) to Fe 4 Al 13 (D T ≈ 10–12 m2·s–1), and finally in FeNiAl5 (D T ≈ 10 –13 m 2 ·s –1 ). Here, we also find that interstitial tritium generally diffuses faster in Fe–Al coating phases than in the tritium breeding material γ-LiAlO 2 (D T ≈ 10 –14 m 2 ·s –1 ) but slightly slower than in 316 stainless steel (D T ≈ 10 –10 m 2 ·s –1 ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Tuning discharge voltage by Schottky electron barrier in P2-Na 2/3 Mg 0.205 Ni 0.1 Fe 0.05 Mn 0.645 O 2

Recently, Mg doped Na metal oxide layered cathode compounds have attracted strong interest for Na-ion battery applications. We report a new type of asymmetric phase evolution between charge and discharge is found to show much-enhanced discharge voltage in P2-Na 2/3 Mg 0.205 Ni 0.1 Fe 0.05 Mn 0.645 O 2 over the parent cathode compound. P2 solid solution is found to show an abnormal coexistence with O2-P2 two-phase reaction during discharge with simultaneous reduction of O, Ni, and Fe redoxes, distinct from the conventional P2-O2 two-phase reaction in the charge. Our analysis suggests that the P2 and O2 two-phase boundary forms a novel unidirectional Schottky barrier to impede electron and Na diffusions in discharge only, thus making the kinetically preferred P2 solid solution phase abnormally coexist with the two-phase region for high discharge voltage and low polarization. Our work demonstrates tuning dynamic evolution of electronic Schottky barrier as a new dimension for advanced kinetic design of high-performance battery cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2017

Cyclotron resonance of dirac fermions in InAs/GaSb/InAs quantum wells

The band structure of three-layer symmetric InAs/GaSb/InAs quantum wells confined between AlSb barriers is analyzed theoretically. It is shown that, depending on the thicknesses of the InAs and GaSb layers, a normal band structure, a gapless state with a Dirac cone at the center of the Brillouin zone, or inverted band structure (two-dimensional topological insulator) can be realized in this system. Measurements of the cyclotron resonance in structures with gapless band spectra carried out for different electron concentrations confirm the existence of massless Dirac fermions in InAs/GaSb/InAs quantum wells.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Influence of Substrate Misorientation on the Composition and the Structural and Photoluminescence Properties of Epitaxial Layers Grown on GaAs(100)

The influence of the degree of misorientation and treatment of a GaAs substrate on the structural and optical characteristics of homoepitaxial GaAs/GaAs(100) structures grown by metal–organic chemicalvapor deposition is studied. From the data obtained by a series of structural and spectroscopic techniques, it is shown that the degree of deviation of the substrate from the exact orientation towards the [110] direction by an angle of up to 4° brings about stepwise growth of the GaAs film in the initial stage and a further increase in the degree of misorienration towards the [110] direction to 10° results in an increase in the number of structural defects in the epitaxial film. At the same time, the samples of homoepitaxial structures grown by metal–organic chemical-vapor deposition on GaAs(100) substrates misoriented by 4° towards the [110] direction possess the highest photoluminescence efficiency; it is ~15% higher than the corresponding quantity for structures grown on precisely oriented GaAs(100) substrates. Preliminary polishing of the GaAs substrate (removal of an oxide layer) also yields the intensification of photoluminescence emission compared to emission in the case of an unpolished substrate of the same type. For samples grown on substrates misoriented by 4°, such an increase in the photoluminescence efficiency is ~30%.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Revealing EDL-driven reduction mechanisms in binary, ternary, and quaternary fluorinated electrolytes via an integrated MD–DFT–ML framework

Accurately predicting solid electrolyte interphase (SEI) formation requires explicitly resolving the electric double layer (EDL) structure, which deviates significantly from that of the bulk electrolyte. Although an established molecular dynamics (MD) and Density Functional Theory (DFT) framework can model SEI formation by evaluating reduction reactions of local clusters in the EDL, it suffers from a combinatorial computational bottleneck. To overcome this limitation, we introduce a machine-learning-accelerated simulation workflow (MD–DFT–ML), integrating a gradient-boosted regression model trained on EDL composition data to efficiently predict reduction potentials. We apply this framework to seven fluorinated electrolytes comprising fluorinated anions, a fluorinated ester solvent, two types of diluent (ion-solvating ester vs. non-solvating ether), and an FEC additive. The analysis shows that the EDL selectively accumulates cation-binding species; consequently, the non–cation-binding ether diluent rarely enters the EDL and makes minimal contributions to SEI formation. DFT calculations on statistically representative EDL clusters provide reduction potentials and fluorine-release pathways, while the ML model, which substantially reduces the DFT workload, predicts cluster reduction energies with a mean absolute error of 0.1 eV. The combined MD–DFT–ML approach also quantifies contributions from different sources to LiF formation in the SEI. This methodology establishes a generalizable route for multiscale modeling electrolyte and interphase design for next-generation electrochemical energy-storage systems.

DFT-MD-ML workflow↗
DOE OSTI2022

3D structures and methods therefor

Aspects of the disclosure are directed to methods and/or apparatuses involving one or more of a conductive polymer, deposition of a conductive polymer and 3D (three-dimensional) printing of a continuous bead of material. As may be implemented in accordance with one or more embodiments characterized herein, a 3D structure is formed as follows. A stacked layer is formed by depositing a continuous bead of material along an uninterrupted path that defines a first layer of the 3D structure. A sidewall of the 3D structure is formed with opposing surfaces respectively defined by successive stacked layers of the 3D structure by, for each stacked layer (including the first layer), depositing the continuous bead of material along the path and with a surface thereof in contact with a surface of the continuous bead of material of an adjacent one of the stacked layers.

Nellis, Gregory↗
DOE OSTI2018

High‐Performance Semitransparent Ternary Organic Solar Cells

Abstract Semitransparent organic solar cells (STOSCs) are ideal candidates for building‐integrated photovoltaics. Power conversion efficiency (PCE) is one of the most important parameters of STOSCs, which is typically limited by the intrinsic narrow absorption of thin active layer. Ternary structure is demonstrated as an efficient approach to broaden the light absorption and manipulate the morphology, thus leading to improved PCEs by introducing a third component into the binary system. However, STOSCs based on ternary systems are rarely studied. In this contribution, semitransparent ternary solar cells are fabricated using a wide‐bandgap ( E g = 2.10 eV) polymer donor, PBT1‐S, as the third component. It is found that the addition of a small amount of PBT1‐S to PTB7‐Th:PC 71 BM blend has a negligible influence on its average visible transmittance (AVT) and color perception. A PCE of 9.2% is achieved for the champion ternary device with 20% AVT, which is one of the highest values for STOSCs. The results indicate that ternary structure is a promising approach for the fabrication of high‐performance STOSCs.

Xie, Yuanpeng↗
DOE OSTI2024

Stoichiometry–Induced Ferromagnetism in Altermagnetic Candidate MnTe

The field of spintronics has seen a surge of interest in altermagnetism due to novel predictions and many possible applications. MnTe is a leading altermagnetic candidate that is of significant interest across spintronics due to its layered antiferromagnetic structure, high Neel temperature (T N ≈ 310 K) and semiconducting properties. The results on molecular beam epitaxy (MBE) grown MnTe/InP(111) films are presented. Here, it is found that the electronic and magnetic properties are driven by the natural stoichiometry of MnTe. Electronic transport and in situ angle-resolved photoemission spectroscopy show the films are natively metallic with the Fermi level in the valence band and the band structure is in good agreement with first-principles calculations for altermagnetic spin-splitting. Neutron diffraction confirms that the film is antiferromagnetic with planar anisotropy and polarized neutron reflectometry indicates weak ferromagnetism, which is linked to a slight Mn-richness that is intrinsic to the MBE-grown samples. Further, when combined with the anomalous Hall effect, this work shows that the electronic response is strongly affected by the ferromagnetic moment. Altogether, this highlights potential mechanisms for controlling altermagnetic ordering for diverse spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Local p‐ and n‐Type Doping of an Oxide Semiconductor via Electric‐Field‐Driven Defect Migration

Layered oxides exhibit high ionic mobility and chemical flexibility, attracting interest as cathode materials for lithium-ion batteries and the pairing of hydrogen production and carbon capture. Recently, layered oxides emerged as highly tunable semiconductors. For example, by introducing anti-Frenkel defects, the electronic hopping conductance in hexagonal manganites is increased locally by orders of magnitude. Here, local acceptor and donor doping in Er(Mn,Ti)O3 is demonstrated, facilitated by the controlled splitting of anti-Frenkel defects under applied d.c. voltage. By combining density functional theory calculations, scanning probe microscopy, atom probe tomography, and scanning transmission electron microscopy, it is shown that the oxygen defects can readily be moved through the layered crystal structure, leading to nano-sized interstitial-rich (p-type) and vacancy-rich (n-type) regions. The resulting pattern is comparable to dipolar npn-junctions and stable on the timescale of days. These findings reveal the possibility of temporarily functionalizing oxide semiconductors at the nanoscale, giving additional opportunities for the field of oxide electronics and the development of transient electronics in general.

He, Jiali↗
DOE OSTI2019

Dopant-Dependent Stability of Garnet Solid Electrolyte Interfaces with Lithium Metal

Li 7 La 3 Zr 2 O 12 (LLZO) garnet-based materials doped with Al, Nb or Ta to stabilize the Li + -conductive cubic phase are a particularly promising class of solid electrolytes for all-solid-state lithium metal batteries. Understanding of the intrinsic reactivity between solid electrolytes and relevant electrode materials is crucial to developing high voltage solid-state batteries with long lifetimes. Using a novel, surface science-based approach to characterize the intrinsic reactivity of the Li-solid electrolyte interface, we determine that, surprisingly, some degree of Zr reduction takes place for all three dopant types, with the extent of reduction increasing as Ta < Nb < Al. Significant reduction of Nb also takes place for Nb-doped LLZO, with electrochemical impedance spectroscopy (EIS) of Li||Nb-LLZO||Li symmetric cells further revealing significant increases in impedance with time and suggesting that the Nb reduction propagates into the bulk. Density functional theory (DFT) calculations reveal that Nb-doped material shows a strong preference for Nb dopants towards the interface between LLZO and Li, while Ta does not exhibit a similar preference. Furthermore EIS and DFT results, coupled with the observed reduction of Zr at the interface, are consistent with the formation of an “oxygen-deficient interphase” (ODI) layer whose structure determines the stability of the LLZO-Li interface.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Room–Temperature Insulating Ferromagnetic (Ni,Co) 1+2 x Ti 1– x O 3 Thin Films

Insulating uniaxial room–temperature ferromagnets are a prerequisite for commonplace spin wave–based devices, the obstacle in contemporary ferromagnets being the coupling of ferromagnetism with large conductivity. It is shown that the uniaxial A 1 + 2x Ti 4+ 1 – x O 3 (ATO), A = Ni 2+ ,Co 2+ , and 0.6 < x ≤ 1, thin films are electrically insulating ferromagnets already at room temperature. Here, the octahedra network of the ATO and the corundum and ilmenite structures are the same yet different octahedra–filling proved to be a route to switch from the antiferromagnetic to ferromagnetic regime. Octahedra can continuously be filled up to x = 1, or vacated (–0.24 < x < 0) in the ATO structure. TiO–layers, which separate the ferromagnetic (Ni,Co)O–layers and intermediate the antiferromagnetic coupling between the ferromagnetic layers in the NiTiO 3 and CoTiO 3 ilmenites, can continuously be replaced by (Ni,Co)O–layers to convert the ATO–films to ferromagnetic insulator with abundant direct cation interactions.

36 MATERIALS SCIENCE↗