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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Carboranyl Electrolyte Enabling Highly Reversible Sodium Metal Anodes via a “Fluorine-Free” SEI

Realization of practical sodium metal batteries (SMBs) is hindered due to lack of compatible electrolyte components, dendrite propagation, and poor understanding of anodic interphasial chemistries. Chemically robust liquid electrolytes that facilitate both favorable sodium metal deposition and a stable solid-electrolyte interphase (SEI) are ideal to enable sodium metal and anode-free cells. Herein we present advanced characterization of a novel fluorine-free electrolyte utilizing the [HCB 11 H 11 ] 1- anion. Symmetrical Na cells operated with this electrolyte exhibit a remarkably low overpotential of 0.032 V at a current density of 2.0 mA cm -2 and a high coulombic efficiency of 99.5 % in half-cell configurations. Additionally, surface characterization of electrodes post-operation reveals the absence of dendritic sodium nucleation and a surprisingly stable fluorine-free SEI. Furthermore, weak ion-pairing is identified as key towards the successful development of fluorine-free sodium electrolytes.

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

Tin asymmetric membranes for high capacity sodium ion battery anodes

Sodium-ion batteries have attracted tremendous research attention as promising candidates for next generation energy storage systems due to low-cost and high abundancy. Furthermore, comparing to current Li-ion battery technology, limitations on the anode side seriously hinder the cell performance since sodium does not easily intercalate into graphite materials. Here, tin nanoparticles embedded in various asymmetric membrane structures were developed to leverage the high capacity of tin (847 mA h g -1 based on Na 15 Sn 4 ) and accommodate the significant volume expansion for long cycle life. It was demonstrated 762 mA h g -1 reversible capacity at 50 mA g -1 and stable cycling performance over 100 cycles with 92.1% capacity retention at 100 mA g -1 can be achieved for the tin asymmetric membrane electrode synthesized using polysulfone and tin tert-butoxide precursor.

25 ENERGY STORAGE↗
DOE OSTI2022

Ionic Control over Ferroelectricity in 2D Layered van der Waals Capacitors

The van der Waals layered material CuInP 2 S 6 features interesting functional behavior, including the existence of four uniaxial polarization states, polarization reversal against the electric field through Cu ion migration, a negative-capacitance regime, and reversible extraction of Cu ions. At the heart of these characteristics lies the high mobility of Cu ions, which also determines the spontaneous polarization. Therefore, Cu migration across the lattice results in unusual ferroelectric behavior. Here, we demonstrate how the interplay of polar and ionic properties provides a path to ionically controlled ferroelectric behavior, achieved by applying selected DC voltage pulses and subsequently probing ferroelectric switching during fast triangular voltage sweeps. Using current measurements and theoretical calculations, we observe that increasing DC pulse duration results in higher ionic currents, the buildup of an internal electric field that shifts polarization loops, and an increase in total switchable polarization by ~50% due to the existence of a high polarization phase which is stabilized by the internal electric field. Apart from tuning ferroelectric behavior by selected square pulses, hysteretic polarization switching can even be entirely deactivated and reactivated, resulting in three-state systems where polarization switching is either inhibited or can be performed in two different directions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Forming a database to study reversed magnetic shear from the National Spherical Torus eXperiment using machine learning

Achieving a long-lived reversed magnetic shear (RMS) target plasma in the National Spherical Torus eXperiment Upgrade will require developing various sustainment scenarios. To help with the ongoing plasma control efforts, the development of a new analysis for the motional Stark effect (MSE) diagnostic using a machine learning algorithm, namely, MSE-ML, is described. MSE-ML will be used to identify patterns during RMS discharges, some of which suffer magnetohydrodynamic (MHD) events resulting in current redistribution and monotonic q-profiles. A database consisting of q and magnetic shear profiles is being constructed primarily based on the existing National Spherical Torus eXperiment data with equilibrium reconstructions constrained by the magnetic field pitch angle profile measured using the multi-channel MSE diagnostic. An unsupervised k-means clustering of the data is developed to study the RMS formation as a function of time. The initial clustering from the q-profiles shows significant differences in both amplitude and the duration of the RMS period. As a goal, the clustering results that detect and distinguish shots with substantial and sustained RMS are to be used as a preprocessing step in a supervised algorithm to identify the underlying conditions that lead to long-lasting improved confinement with RMS. Another aim of the MSE-ML study is to identify precursors of RMS-destroying MHD events in either derived data such as the q-profile or directly measured data such as the magnetic field pitch angle profile.

Uzun-Kaymak, I. U. (ORCID:0000000276251493)↗
DOE OSTI2025

Quantum Nonlinear Acoustic Hall Effect and Inverse Acoustic Faraday Effect in Dirac Insulators

Here, we propose to realize the quantum nonlinear Hall effect and the inverse Faraday effect through the acoustic wave in a time-reversal invariant but inversion broken Dirac insulator. We focus on the acoustic frequency much lower than the Dirac gap such that the interband transition is suppressed and these effects arise solely from the intrinsic valley-contrasting band topology. The corresponding acoustoelectric conductivity and magnetoacoustic susceptibility are both proportional to the quantized valley Chern number and independent of the quasiparticle lifetime. The linear and nonlinear components of the longitudinal and transverse topological currents can be tuned by adjusting the polarization and propagation directions of the surface acoustic wave. The static magnetization generated by a circularly polarized acoustic wave scales linearly with the acoustic frequency as well as the strain-induced charge density. Our results unveil a quantized nonlinear topological acoustoelectric response of gapped Dirac materials, like hexagonal boron nitride and transition-metal dichalcogenide, paving the way toward room-temperature acoustoelectric devices due to their large band gaps.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Sulfide electrolyte additive enables multi-ionic transfer pathways in alkaline iron redox

Traditional alkaline iron (Fe) batteries rely on the conversion reaction between Fe and Fe(OH) 2 but suffer from hydrogen generation upon Fe formation on charging. Fe 2+ /Fe 3+ redox is a promising anode reaction for alkaline Fe batteries, as it alleviates the formation of hydrogen gas during charging. However, achieving complete Fe 2+ /Fe 3+ redox with a one-electron transfer reaction is challenging due to the formation of electrochemically inert Fe 3 O 4 materials. Here, we demonstrate that an alkaline sulfide-containing electrolyte facilitates the reversible multi-ion transfer and transport pathways within (and beyond) the Fe 2+ /Fe 3+ redox system, including Fe(OH) 2 /Fe 3 O 4 conversion, intercalation of hydrosulfide into layered Fe(OH) 2 , and hydrogen deposition, mediated by hydroxyl ions, hydrosulfide anions, and protons, respectively. This multi-ionic charge storage mechanism delivers a compelling discharge capacity of up to 330 mA h g −1 , as determined by chronopotentiometry measurements at a current density of 0.1 A g −1 , exceeding the theoretical iron redox capacity solely relying on Fe 2+ /Fe 3+ redox (∼299 mA h g −1 ). Our study will highlight the potential of alkaline iron redox as a green anode reaction for various aqueous energy storage systems by utilizing a scalable and low-concentration hydrosulfide electrolyte additive.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enhanced domain dynamics in alternating current poled rhombohedral Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 single crystals

Abstract The understanding of domain dynamics in ferroelectric materials is crucial for optimizing their performance in piezoelectric and electro‐optic applications. Although previous studies have focused on static domain structures and macroscopic characteristics, the time‐resolved approach of domains remains largely unexplored. In this study, we compare the dynamic responses of direct current (DC) and alternating current (AC) poled [001]‐oriented rhombohedral Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 (PMN–PT) single crystals using X‐ray photon correlation spectroscopy (XPCS) during the application of external electric fields. Our results demonstrate that the AC‐poled sample exhibit enhanced reconfiguration of domain variants in response to driving fields compared to the DC‐poled counterpart, as evidenced by accelerated correlation decay and faster relaxation time. This phenomenon is attributed to enhanced reversible domain wall motion achieved through AC poling, which facilitates field‐induced domain realignment. These findings provide insight into the relationship between dynamics and macroscopic properties in relaxor‐PT single crystals for high‐performance applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Relevance of E × B drifts for particle and heat transport in divertors

Radial electric fields up to ~4 kV m –1 are observed in the boundary between the private flux region (PFR) and the scrape-off layer (SOL) driving E × B drifts between the inner and outer targets at speeds up to 2.8 km s –1 in the Tokamak à configuration variable divertor. The resulting E × B fluxes, located in a narrow region ($\Delta {\rho _\Psi } < 0.012$ in normalized radius or $\Delta $ R – R sep <4 mm mapped to the outer midplane) are equivalent to around 20% of the total heat and particle flux to the divertor targets (inner + outer). At the peak E r , the E × B poloidal transport is equivalent to parallel flows with M ∥ ~ 3. In the snowflake divertor with a second X-point in the outer SOL, the drifts in the PFR-SOL boundary were equivalent to around 30% of the total heat and particle flux to the divertor targets and cover a region ~50% wider than in the single null ($\Delta {\rho _\Psi }$ ~ 0.018, $\Delta $R – R sep ~ 6 mm). Furthermore, the location of the PFR-SOL boundary drift shifts radially in the E ∥ × B direction when reversing the toroidal field direction. Peaks in density and electron pressure have been identified near the primary X-point along with large gradients in density, temperature, and potential, the latter resulting in a local electric field ~2.7 kV m –1 which drives a drift (1.9 km s –1 ) upwards towards the closed flux surfaces. Floating potential (V f ) magnitudes up to 75 V (~2 kT e ) were measured, indicating that V f and parallel currents should not be neglected when estimating plasma potential.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Tunable competing magnetic anisotropies and spin reconfigurations in ferrimagnetic Fe 100– x Gd x alloy films

Here, we report a comprehensive study of the temperature evolution of in-plane (IP) and out-of-plane (OOP) effective magnetic anisotropies in compensated ferrimagnetic Fe 100– x Gd x alloy films by employing direct current magnetometry and radiofrequency (RF) transverse susceptibility (TS) measurements. We suggest that our Fe 100– x Gd x system is chemically inhomogeneous and phase segregates into Fe- and Gd-enriched regions. Our IP and OOP magnetometry results indicate that the system undergoes a temperature-driven transformation from an IP-spin-configuration-dominated state to an OOP-spin-configuration-dominated state below a certain temperature (spin reorientation temperature). A two-step reversal behavior emerges in the OOP $\textit{M(H)}$ loop near compensation, which we attribute to the sequential magnetization reversals of Fe- and Gd-enriched domains. Field-induced spin-flop transitions were also observed near the compensation. Our RF TS measurements indicate that the effective magnetic anisotropy for the OOP configuration dominates over that for the IP configuration below a certain spin reorientation temperature. Both IP and OOP anisotropy fields determined from our TS measurement exhibit a minimum around the compensation temperature, which has been explained in the framework of the Stoner-Wohlfarth model.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Skyrme–Hartree–Fock–Bogoliubov mass models on a 3D mesh: IIb. Fission properties of BSkG2

Large-scale models of nuclear structure are currently the only way to provide consistent datasets for the many properties of thousands of exotic nuclei that are required by nucleosynthesis simulations. In [W. Ryssens et al., Eur. Phys. J. A 58, 246 (2022)], we recently presented the new BSkG2 model based on an energy density functional of the Skyrme type. Relying on a flexible three-dimensional coordinate representation of the nucleus, the model takes into account both triaxial deformation and time-reversal symmetry breaking. BSkG2 achieves a state-of-the-art global description of nuclear ground state (g.s.) properties and reproduces in particular the known masses with a root-mean-square (rms) deviation of 678 keV. Moving beyond g.s. properties, the model also reproduces all empirical values for the primary and secondary barriers as well as isomer excitation energies of actinide nuclei with rms deviations below 500 keV, i.e. with unprecedented accuracy. Here we discuss in detail the extension of our framework to the calculation of the fission barriers of 45 actinide nuclei, including odd-mass and odd-odd systems. We focus in particular on the impact of symmetry breaking which is key to the accuracy of the model: we allow systematically for axial, reflection and time-reversal symmetry breaking. The effect of the latter on the fission properties of odd-mass and odd-odd nuclei is small, but we find that allowing for shapes with triaxial or octupole deformation, as well as shapes with both, is crucial to achieving this accuracy. Here, the numerical accuracy of our coordinate space approach, the variety of nuclear configurations explored and the simultaneous successful description of fission properties and known masses makes BSkG2 the tool of choice for the large-scale study of nuclear structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

An electrochemically stable homogeneous glassy electrolyte formed at room temperature for all-solid-state sodium batteries

All-solid-state sodium batteries (ASSSBs) are promising candidates for grid-scale energy storage. However, there are no commercialized ASSSBs yet, in part due to the lack of a low-cost, simple-to-fabricate solid electrolyte (SE) with electrochemical stability towards Na metal. In this work, we report a family of oxysulfide glass SEs (Na 3 PS 4-x O x , where 0 < x ≤ 60) that not only exhibit the highest critical current density among all Na-ion conducting sulfide-based SEs, but also enable high-performance ambient-temperature sodium-sulfur batteries. By forming bridging oxygen units, the Na 3 PS 4-x Ox SEs undergo pressure-induced sintering at room temperature, resulting in a fully homogeneous glass structure with robust mechanical properties. Furthermore, the self-passivating solid electrolyte interphase at the Na|SE interface is critical for interface stabilization and reversible Na plating and stripping. The new structural and compositional design strategies presented here provide a new paradigm in the development of safe, low-cost, energy-dense, and long-lifetime ASSSBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Coherent fluctuations in a partially magnetized small magnetron discharge operating on molecular nitrogen

We report experimental data on rotating plasma disturbances in a quasi-steady direct-current magnetron discharge operating with molecular nitrogen at pressures of 27, 40, 67, and 133 Pa. Experiments with a segmented anode measuring the local current flow reveal up to 12 coherent structures (“spokes”) propagating in the +E×B and −E×B azimuthal directions. The current–voltage characteristics are studied and found to follow a negative resistance profile at the lower discharge currents. The existence of coherent structures and the number of spokes observed depend on the discharge current and operating pressure. Lower pressures are more favorable to the retrograde −E×B spoke rotation, which is observed in the 27, 40, and 67 Pa discharges. The results are interpreted with a gradient-driven drift wave model, and using the dispersion relation, we show that the propagation direction depends on the orientation of the local electric field within the plasma. Using an electron fluid model, we show how experimental conditions can lead to field reversals that generate −E×B spoke rotation in the lower pressure discharges.

Physics↗
DOE OSTI2025

Nm-scale electrical resistance imaging on CdTe by scanning spreading resistance microscopy

Local resistance imaging can provide information on nm-scale carrier distribution in semiconductor devices. Scanning spreading resistance microscopy (SSRM), an atomic force microscopy-based nm-scale resistance mapping technique, has been developed for carrier delineation in Si microdevices. We report on the development and validation of SSRM on CdTe materials, by testing on molecular beam epitaxy (MBE) grown CdTe films. The probe/CdTe contact resistance was suppressed sufficiently below sample's spreading resistance by pressing the probe into the sample with ∼mN contact force and applying a large sample/probe forward bias voltage (V s ), which was understood by analyzing current-voltage (I-V) involving a serially connected insulating top layer with underlying spreading resistance. The carrier concentration as deduced from the resistance measurement, using a single mobility value, is consistent with Hall measurement with a standard deviation of 14% based on a set of MBE films with carrier concentrations in the range of 10 15 –10 16 /cm 3 . The doping polarity was readily identified by flipping V s polarity, where the resistance with reverse V s is orders of magnitude larger than forward V s . While focusing on the SSRM technique validation, we also show an example on an As-doped Cd(Se,Te) polycrystalline thin film of a high-performance CdTe solar cell, which illustrates the local resistance nonuniformity with up to two orders of magnitude differences, indicating if local mobility is roughly constant, local carrier concentration can have significant nonuniformity.

14 SOLAR ENERGY↗
DOE OSTI2020

Measuring Neutrino Oscillations in the NOvA and CHIPS Detectors.

NOvA is a long baseline neutrino experiment which uses muon neutrinos produced by the NuMI beam at the Fermi National Accelerator Laboratory to measure muon neutrino disappearance and electron neutrino appearance, among other analyses. The Far/Near Extrapolation analysis framework (FNEX) was used to measure muon neutrino disappearance using the events observed by NOvA while the NuMI beam was in Forward Horn Current configuration (i.e. this analysis uses neutrino data, not antineutrino data). The values of the parameters measured in this analysis are sin 2 &theta; 23 - 0.499$^{+0.098}_{-0.069}$ and Δm$^2_{32}$ - 2.454$^{+0.108}_{0.119}$ &times; 10 -3 eV, which is consistent with the results of NOvA’s main muon neutrino disappearance analysis using the experiment’s usual framework, known as CAF. The CHIPS detector is a water Cherenkov detector currently in construction. It will also use the NuMI beam to perform muon neutrino disappearance and electron neutrino appearance analyses. The necessary water clarity for a detector with a diameter of 25 m and a height of 6 m is discussed, as well as the results of testing water filtration systems. The filtration that will be used for the detector is a 10 µm carbon block filter and a 0.5 µm filter in series, with no reverse osmosis or ultraviolet sterilisation being used. This provides an attenuation length of 16.63 ± 0.25 m for light of 532 nm wavelength (green), so light with a wavelength of 405 nm (violet) would have an attenuation length of 133±2 m. The greatest possible distance between a PMT and any point in the detector’s volume is approximately 26 m, so 133 m is sufficient for the detector to measure Cherenkov light produced anywhere in the detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Light-wave-controlled Haldane model in monolayer hexagonal boron nitride

In recent years, the stacking and twisting of atom-thin structures with matching crystal symmetry has provided a unique way to create new superlattice structures in which new properties emerge. In parallel, control over the temporal characteristics of strong light fields has allowed researchers to manipulate coherent electron transport in such atom-thin structures on sublaser-cycle timescales. Here we demonstrate a tailored light-wave-driven analogue to twisted layer stacking. Tailoring the spatial symmetry of the light waveform to that of the lattice of a hexagonal boron nitride monolayer and then twisting this waveform result in optical control of time-reversal symmetry breaking and the realization of the topological Haldane model in a laser-dressed two-dimensional insulating crystal. Further, the parameters of the effective Haldane-type Hamiltonian can be controlled by rotating the light waveform, thus enabling ultrafast switching between band structure configurations and allowing unprecedented control over the magnitude, location and curvature of the bandgap. This results in an asymmetric population between complementary quantum valleys that leads to a measurable valley Hall current, which can be detected by optical harmonic polarimetry. The universality and robustness of our scheme paves the way to valley-selective bandgap engineering on the fly and unlocks the possibility of creating few-femtosecond switches with quantum degrees of freedom.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Quantum material topology via defect engineering

Current approaches of discovering new topological quantum materials, such as (magnetic) Weyl materials, by screening material databases or by rational design suffer from experimental challenges in growing the material in the desired geometry, hampering their potential applications. We take an approach of defect-engineering a topology starting from systems with experimentally well-controlled growth . Using SnTe, an experimentally viable topological crystalline insulator, as our model system, we elucidate the different effects of breaking time-reversal, inversion, and mirror symmetries using magnetic dopant defects, to controllably induce a topological phase transition. To this effect, we compute the thermodynamics, magnetism, and band-structure topology of magnetically doped SnTe using a full ab initio approach. In this process, we have discovered that Cr-doped SnTe is a Weyl semimetal. We have computed its classic Fermi-arc experimental signature on the (001) surface and also showed that it has a large anamolous Hall conductivity (AHC) of ~ 250 Ω - 1 cm - 1 . We predict a large Curie temperature ( T c ) of 62 K even at 3.3 % doping, with both T c and AHC being tunable with Cr concentration, suggesting potential for room-temperature applications. Our study in general paves the way for defect-designing room-temperature topological quantum phases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Progress of Nanotechnology for Lithium-Sulfur Batteries

Lithium-Sulfur (Li-S) battery has been proposed and investigated since the 1960s as an effective energy storage device via reversible electrochemical reactions. As the fast development and commercialization of Li-ion battery (LIB) technology kept moving forward, no breakthroughs have been attained to solve critical technical issues facing Li-S batteries during the following decades. In the year 2000s, Li-S batteries reattracted significant interests in the research field owing to their low-cost advantages, high theoretical specific energy of 2600 Wh kg -1 , which is at least 3 times higher than the current LIB technology. The low-cost and high abundance of sulfur (i.e., the cathode active material), make Li-S batteries more appealing than LIBs given the fact that the latter use critical materials such as cobalt and nickel in the manufacturing of the cathodes. Moreover, the high-energy and low-cost features make the Li-S battery a promising energy storage technology in practical applications such as portable devices, electric vehicles, and grid storage when coupled with the harvesting of solar or wind renewable energies. For example, since 2007, SION Power Corporation (Tucson, USA) and Oxis Energy (UK) made progress towards the commercialization of Li-S batteries with products showing specific energies over 350 Wh kg -1 for powering electric vehicles. To be on a par with the current LIB technology, the ultimate goal of achieving 500 Wh kg -1 for Li-S battery will make it more competitive for widespread commercialization.

Li, Mengya↗