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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Tunneling Currents That Increase with Molecular Elongation

We present a model molecular system with an unintuitive transport–extension behavior in which the tunneling current increases with forced molecular elongation. The molecule consists of two complementary aromatic units (1,4-anthracenedione and 1,4-anthracenediol) hinged via two ether chains and attached to gold electrodes through thiol-terminated alkenes. The transport properties of the molecule as it is mechanically elongated in a single-molecule pulling setting are computationally investigated using a combination of equilibrium molecular dynamics simulations of the pulling with gDFTB computations of the transport properties in the Landauer limit. Contrary to the usual exponential decay of tunneling currents with increasing molecular length, the simulations indicate that upon elongation electronic transport along the molecule increases 10-fold. The structural origin of this inverted trend in the transport is elucidated via a local current analysis that reveals the dual role played by H-bonds in both stabilizing π-stacking for selected extensions and introducing additional electronic couplings between the complementary aromatic rings that also enhance tunneling currents across the molecule. The simulations illustrate an inverted electromechanical single-molecule switch that is based on a novel class of transport–extension behavior that can be achieved via mechanical manipulation and highlight the remarkable sensitivity of conductance measurements to the molecular conformation.

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

Seasonal Cycle and Annual Reversal of the Somali Current in an Eddy-Resolving Global Ocean Model

The annual cycle of the Somali Current is studied using a forced strongly eddy-active global ocean general circulation model. The annual cycle and timing of the reversal of the Somali Current differ depending on the location along the coast of northeastern Africa. A momentum budget analysis calculated from the model output shows that both annual Rossby waves and the life cycle of the Great Whirl impact the northern part of the Somali Current (roughly 5°N to 10°N). In particular, the nonlinear term is of leading order importance when the Great Whirl is present. This is in contrast to the leading-order geostrophic balance between 2°N and 5°N. South of 2°N, equatorial dynamics prevail, and the nonlinear term is again important, and its reversal is strongly affected by the northward flowing East African Coastal Current. Alongshore wind forcing is influential at all latitudes, but only the transition in flow direction during boreal spring between 2°N and 5°N directly follows that of the wind.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Reduced‐Order Probabilistic Emulation of Physics‐Based Ring Current Models: Application to RAM‐SCB Particle Flux

Abstract In this work, we address the computational challenge of large‐scale physics‐based simulation models for the ring current. Reduced computational cost allows for significantly faster than real‐time forecasting, enhancing our ability to predict and respond to dynamic changes in the ring current, valuable for space weather monitoring and mitigation efforts. Additionally, it can also be used for a comprehensive investigation of the system. Thus, we aim to create an emulator for the Ring current‐Atmosphere interactions Model with Self‐Consistent magnetic field (RAM‐SCB) particle flux that not only improves efficiency but also facilitates forecasting with reliable estimates of prediction uncertainties. The probabilistic emulator is built upon the methodology developed by Licata and Mehta (2023), https://doi.org/10.1029/2022sw003345 . A novel discrete sampling is used to identify 30 simulation periods over 20 years of solar and geomagnetic activity. Focusing on a subset of particle flux, we use Principal Component Analysis for dimensionality reduction and Long Short‐Term Memory (LSTM) neural networks to perform dynamic modeling. Hyperparameter space was explored extensively resulting in about 5% median symmetric accuracy across all data sets for one‐step dynamic prediction. Using a hierarchical ensemble of LSTMs, we have developed a reduced‐order probabilistic emulator (ROPE) tailored for time‐series forecasting of particle flux in the ring current. This ROPE offers accurate predictions of omnidirectional flux at a single energy with no pitch angle information, providing robust predictions on the test set with an error score below 11% and calibration scores under 8% with bias under 2% providing a significant speed up as compared to the full RAM‐SCB run.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Bending strain engineering in quantum spin hall system for controlling spin currents

Quantum spin Hall system can exhibit exotic spin transport phenomena, mediated by its topological edge states. The concept of bending strain engineering to tune the spin transport properties of a quantum spin Hall system is demonstrated. Here, we show that bending strain can be used to control the spin orientation of counter-propagating edge states of a quantum spin system to generate a non-zero spin current. This physics mechanism can be applied to effectively tune the spin current and pure spin current decoupled from charge current in a quantum spin Hall system by control of its bending curvature. Moreover, the curved quantum spin Hall system can be achieved by the concept of topological nanomechanical architecture in a controllable way, as demonstrated by the material example of Bi/Cl/Si(111) nanofilm. This concept of bending strain engineering of spins via topological nanomechanical architecture affords a promising route towards the realization of topological nano-mechanospintronics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Optical gain in colloidal quantum dots achieved with direct-current electrical pumping

Chemically synthesized semiconductor quantum dots (QDs) can potentially enable solution-processable laser diodes with a wide range of operational wavelengths, yet demonstrations of lasing from the QDs are still at the laboratory stage. An important challenge—realization of lasing with electrical injection—remains unresolved, largely due to fast nonradiative Auger recombination of multicarrier states that represent gain-active species in the QDs. Here in this paper, we present population inversion and optical gain in colloidal nanocrystals realized with direct-current electrical pumping. Using continuously graded QDs, we achieve a considerable suppression of Auger decay such that it can be outpaced by electrical injection. Further, we apply a special current-focusing device architecture, which allows us to produce high current densities (j) up to ~18 A cm -2 without damaging either the QDs or the injection layers. The quantitative analysis of electroluminescence and current-modulated transmission spectra indicates that with j = 3-4 A cm -2 we achieve the population inversion of the band-edge states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Observation of current-induced switching in non-collinear antiferromagnetic IrMn 3 by differential voltage measurements

There is accelerating interest in developing memory devices using antiferromagnetic (AFM) materials, motivated by the possibility for electrically controlling AFM order via spin-orbit torques, and its read-out via magnetoresistive effects. Recent studies have shown, however, that high current densities create non-magnetic contributions to resistive switching signals in AFM/heavy metal (AFM/HM) bilayers, complicating their interpretation. Here we introduce an experimental protocol to unambiguously distinguish current-induced magnetic and nonmagnetic switching signals in AFM/HM structures, and demonstrate it in IrMn 3 /Pt devices. A six-terminal double-cross device is constructed, with an IrMn 3 pillar placed on one cross. The differential voltage is measured between the two crosses with and without IrMn 3 after each switching attempt. For a wide range of current densities, reversible switching is observed only when write currents pass through the cross with the IrMn 3 pillar, eliminating any possibility of non-magnetic switching artifacts. Micromagnetic simulations support our findings, indicating a complex domain-mediated switching process.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Generation of high-density biskyrmions by electric current

Much interest has been focused on the manipulation of magnetic skyrmions, including the generation, annihilation, and motion behaviors, for potential applications in spintronics. We experimentally demonstrate that a high-density Bloch-type biskyrmion lattice in MnNiGa can be generated by applying electric current. It is revealed that the density of biskyrmions can be remarkably increased by increasing the electric current, in contrast to the scattered biskyrmions induced by a magnetic field alone. Furthermore, the transition from the ferromagnetic state to the stripe domain structure can be terminated by the electric current, leading to the biskyrmions dominated residual domain pattern. These biskyrmions in such residual domain structure are extremely stable at zero magnetic and electric fields and can further evolve into the high-density biskyrmion lattice over a temperature range from 100 to 330 K. Finally, our experimental findings open up a new pathway for the generation of skyrmion lattice by electric current manipulation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Tilted spin current generated by the collinear antiferromagnet ruthenium dioxide

Symmetry plays a central role in determining the polarization of spin currents induced by electric fields. It also influences how these spin currents generate spin-transfer torques in magnetic devices. Here, we show that an out-of-plane damping-like torque can be generated in ruthenium oxide (RuO 2 )/permalloy devices when the Néel vector of the collinear antiferromagnet RuO 2 is canted relative to the sample plane. By measuring characteristic changes in all three components of the electric-field-induced torque vector as a function of the angle of the electric field relative to the crystal axes, we find that the RuO 2 generates a spin current with a well-defined tilted spin orientation that is approximately parallel to the Néel vector. A maximum out-of-plane damping-like spin torque efficiency per unit electric field of 7±1 × 10 3 Ω -1 m -1 is measured at room temperature. Here, the observed angular dependence indicates that this is an antiferromagnetic spin Hall effect with symmetries that are distinct from other mechanisms of spin-current generation reported in antiferromagnetic and ferromagnetic materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Discontinuous properties of current-induced magnetic domain wall depinning

The current-induced motion of magnetic domain walls (DWs) confined to nanostructures is of great interest for fundamental studies as well as for technological applications in spintronic devices. Here, we present magnetic images showing the depinning properties of pulse-current-driven domain walls in well-shaped Permalloy nanowires obtained using photoemission electron microscopy combined with x-ray magnetic circular dichroism. In the vicinity of the threshold current density (Jth 5 4.2 3 1011 A.m22 ) for the DW motion, discontinuous DW depinning and motion have been observed as a sequence of ‘‘Barkhausen jumps’’. A one-dimensional analytical model with a piecewise parabolic pinning potential has been introduced to reproduce the DW hopping between two nearest neighbour sites, which reveals the dynamical nature of the current-driven DW motion in the depinning regime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Stackable bipolar pouch cells with corrosion-resistant current collectors enable high-power aqueous electrochemical energy storage

A critical bottleneck in the development of aqueous electrochemical energy storage systems is the lack of viable complete cell designs. Here, we report a metal-free, bipolar pouch cell designed with carbon black/polyethylene composite film (CBPE) current collectors as a practical cell architecture. The light-weight, corrosion-resistant CBPE provides stable operation in a variety of aqueous electrolytes over a ~2.5 V potential range. Because CBPE is heat-sealable, it serves simultaneously as both the pouch cell packaging and seal in addition to its use as a current collector. Although this non-metallic composite has a low electrical conductivity relative to metal foils, current travels only a short distance in the through-plane direction of the current collector in the bipolar cell configuration. This shorter path length lowers the effective electrical resistance, making the design suitable for high-power applications. We test the cell architecture using an aqueous ZnBr 2 battery chemistry and incorporate tetrabutylammonium cations to improve the intrinsic low Coulombic efficiency and fast self-discharge of non-flow ZnBr 2 cells. These devices demonstrate a cell-level energy density of 50 W h L -1 at a 10C rate (0.5 kW L -1 ), with less than 1% capacity loss over 500 cycles. A large-area (>6 cm 2 ) 4-cell stack is built to illustrate that the pouch cells are scalable to practical dimensions and stackable without sacrificing performance. The device operates in the range of 6–7 V and has an internal self-balancing mechanism that prevents any individual cell in the stack from overcharging. The results thus demonstrate both a conceptually new cell architecture that is broadly applicable to many aqueous electrolyte chemistries and a specific high-performance example thereof.

25 ENERGY STORAGE↗
DOE OSTI2018

Nanoscale in situ detection of nucleation and growth of Li electrodeposition at various current densities

Li metal batteries can store at least ten times more energy than currently existing Li-ion batteries. However, during routine charging and discharging, Li dendrites grow on the Li metal electrode, which can lead to capacity loss by the consumption of Li salt at the surface of the Li dendrites, and be a safety hazard resulting from the potential for short-circuits. Although past efforts have provided useful information about the morphology and surface area of Li dendrite formation at the microscale, a nanoscale understanding of nucleation and growth of Li nanoparticle electrodeposition is still elusive. In this study, using a new electrochemical cell for transmission mode grazing incidence small angle X-ray scattering, we obtained, for the first time, the primary nucleus size of Li nanoparticles, their size evolution and their fractal structures at various current densities and in real-time. The measured average radius of gyration, R g , at current densities of 0.1, 0.5, and 2.0 mA cm -2 is 5.4 ± 0.4, 4.5 ± 0.3, and 3.5 ± 0.3 nm, respectively. This variation in size with current density is noteworthy when recognizing that the surface area-to-volume ratio of the Li nanoparticles is 3.7 times higher at 2.0 mA cm -2 than at 0.1 mA cm -2 . We also compared a hierarchical fractal structure of Li particles from the nanometer to micrometer scale. Our findings illuminate the role of overpotential in the reactive surface area of Li dendrites at the nanoscale, and provide a novel research platform for suppressing Li dendrite formation in Li metal battery systems.

25 ENERGY STORAGE↗
DOE OSTI2020

Monitoring aromatic ring-currents in Mg-porphyrin by time-resolved circular dichroism

We report time-resolved circular dichroism signals (TRCD) in the X-ray regime can directly probe the magnitude and the direction of ring currents in molecules. The electronic ring currents in Mg-porphyrin, generated by a coherent superposition of electronic states induced by a circularly polarized UV pulse, are tracked by a time-delayed circularly polarized attosecond X-ray pulse. The signals are calculated using the minimal coupling Hamiltonian, which directly makes use of transition current densities. The TRCD signals obtained from the left and right circularly polarized light pump have opposite signs, revealing the direction of the ring current. Molecular aromaticity and its role in photochemical reactions such as ring opening or closure can be studied using this technique.

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

Chemical and structural evolutions of Li–Mn-rich layered electrodes at different current densities

Although the two active redox centers in Li-rich cathodes, including the anionic and cationic contributions, can enable Li-ion batteries to achieve outstanding specific energy, their behaviors at different current densities have not been clarified. In this report we provide a comparative study of transition metals (TMs) and oxygen redox activities by directly accessing their oxidation states in Li-rich materials operated at very different current rates. Our data reveal that the oxidation of oxygen in the near-surface region is at the same level for electrodes cycled with a wide range of current rates, indicating a reaction gradient of lattice oxygen redox reactions. The oxidation process of lattice oxygen is found to be dynamically compatible with that of the TMs. Combining the results of first principles calculations and complementary experimental findings, we propose a detailed mechanism of structural distortion from octahedral Li to tetrahedral Li and the role of oxygen vacancy in Li + diffusion. It is found that fast delithiation occurring at high current densities can easily cause local structural transformation, leading to a limited Li + diffusion rate and consequently suppressing rate capability.

25 ENERGY STORAGE↗
DOE OSTI2025

Importance of hydrogen oxidation reaction current in quantifying hydrogen crossover in PEM water electrolyzers at high differential pressure

Understanding hydrogen permeation in proton exchange membrane water electrolyzers (PEMWEs) operating at high differential pressures (>25 bar) is critical towards developing effective gas recombination strategies that enable safe operation and high efficiency. Developing this understanding relies on accurate quantification of hydrogen crossover rates in water electrolyzers operating under such conditions. In this work, we show that PEMWEs operating at high differential pressures exhibit noticeable hydrogen oxidation reaction (HOR) currents. As the HOR consumes part of the permeated hydrogen at the anode, neglecting HOR currents leads to severe underestimation of the hydrogen crossover rate. We implemented a new method combining hydrogen oxidation current with online gas chromatography measurements to accurately quantify hydrogen crossover rates as a function of operating current density in PEMWEs operating at high differential pressures (10–30 bar g ).

25 ENERGY STORAGE↗
DOE OSTI2015

Approximation of the maximum frequency of operation for point‐contact MIM diodes from DC current against voltage measurements

Point‐contact metal–insulator–metal (MIM) diodes have been used for detection and mixing at frequencies as high as 520 THz. In detection, the current responsivity (CR), defined as the change in the DC current caused by an incremental change in the high‐frequency input power, depends on the dimensions of the diode and the test fixture. However, other researchers have shown that the intrinsic current responsivity (ICR) which sets an upper bound for the CR may be determined from DC current against voltage measurements. Additional calculations from DC measurements have been used to determine an upper bound for the maximum frequency of operation.

Snyder, G.↗
DOE OSTI2011

High-current discharge channel contraction in high density gas

Research results for discharges at current amplitudes of 0.5-1.6 MA and current rise rate of {approx}10{sup 10} A/s are presented. The discharge is performed in the hydrogen environment at the initial pressure of 5-35 MPa. Initiation is implemented by a wire explosion. The time length of the first half-period of the discharge current is 70-150 {mu}s. Under such conditions, discharge channel contraction is observed; the contraction is followed by soft x-ray radiation. The phenomena are discussed, which are determined by high density of the gas surrounding the discharge channel. These phenomena are increase of the current critical value, where the channel contraction begins and growth of temperature in the axis region of the channel, where the initial density of the gas increases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Topology of tokamak plasma equilibria with toroidal current reversal

Some general principles about scalar functions with critical points are used to rigorously ascertain that magnetic equilibria with both toroidal current reversal and nested magnetic surfaces are atypical solutions and highly unstable to arbitrary perturbations of boundary conditions and other parameters. The cause for such is shown to lie in the condition of nested magnetic surfaces and not in the possibility of current reversal and consequent vanishing of the poloidal field inside the plasma. Rather than supporting the claim that instability against experimentally driven perturbations forbids configurations with toroidal current reversal, it is argued that these can be attained if an axisymmetric island system is allowed for in order to break the condition of nested magnetic surfaces. A number of results previously reported in the literature are discussed and reinterpreted under the proposed framework, providing some physical insight on the nature of equilibria with toroidal current reversal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Gas field ion source current stability for trimer and single atom terminated W(111) tips

Tungsten W(111) oriented trimer-terminated tips as well as single atom tips, fabricated by a gas and field assisted etching and evaporation process, were investigated with a view to scanning ion microscopy and ion beam writing applications. In particular, ion current stability was studied for helium and neon imaging gases. Large ion current fluctuations from individual atomic sites were observed when a trimer-terminated tip was used for the creation of neon ion beam. However, neon ion current was stable when a single atom tip was employed. No such current oscillations were observed for either a trimer or a single atom tip when imaged with helium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗