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DOE OSTI2020

Solvation Structure and Electrochemical Properties of a New Weakly Coordinating Aluminate Salt as a Nonaqueous Electrolyte for Zinc Batteries

In continuation of our interest in developing multivalent electrolytes for energy storage, we report a new zinc salt with a weakly coordinating anion, tetrakis(perfluoro-tert-butoxy) aluminate (TPFA), as a stable electrolyte for nonaqueous systems. We examined the electrochemical and structural properties of this nonaqueous electrolyte in various solvents. ZnTPFA 2 supports highly reversible Zn deposition and stripping behavior in acetonitrile and ethereal solvents, with up to 91% Coulombic efficiency. A variety of analytical techniques were used to identify the local coordination structure around Zn 2+ in both the crystal phase and the solution phase, providing clear evidence of solvent coordination around the cation.

25 ENERGY STORAGE↗

DOE OSTI2023

Near surface structure of ultrathin epitaxial Ru films on graphene/amorphous SiO 2 revealed by azimuthal RHEED

Ru has been considered as an alternative metallic candidate for future local interconnects. The 2D reciprocal space map constructed from the azimuthal reflection high-energy electron diffraction patterns reveals that ultrathin Ru(0001) is epitaxially grown on transferred graphene on amorphous SiO 2 through quasi-van der Waals interaction. The in-plane and out-of-plane lattice constants are measured from streaks’ separation and intensity modulations along streaks, respectively. Weak and broad rings indicate that a low density of nanoscale polycrystals exist on the surface. In this work, The intensities of 00 and non-00 diffraction spots vs. azimuthal angles in the 2D map show a few degrees out-of-plane and in-plane angular misorientations among grains, respectively. As the film thickness decreases these angular misorientations increase. Transmission electron microscopy carried out in this study also provides precise values of lattice constant and sub-grain sizes in the films. These findings show that ultrathin Ru film is epitaxial but not exactly single crystalline.

36 MATERIALS SCIENCE↗

NASA NTRS1996

Turbulent Compressible Convection with Rotation: Flow Structure and Evolution - Part 1

The effects of Coriolis forces on compressible convection are studied using three-dimensional numerical simulations carried out within a local modified f-plane model. The physics is simplified by considering a perfect gas occupying a rectilinear domain placed tangentially to a rotating sphere at various latitudes, through which a destabilizing heat flux is driven. The resulting convection is considered for a range of Rayleigh, Taylor, and Prandtl (and thus Rossby) numbers, evaluating conditions where the influence of rotation is both weak and strong. Given the computational demands of these high-resolution simulations, the parameter space is explored sparsely to ascertain the differences between laminar and turbulent rotating convection. The first paper in this series examines the effects of rotation on the flow structure within the convection, its evolution, and some consequences for mixing. Subsequent papers consider the large-scale mean shear flows that are generated by the convection, and the effects of rotation on the convective energetics and transport properties. It is found here that the structure of rotating turbulent convection is similar to earlier nonrotating studies, with a laminar, cellular surface network disguising a fully turbulent interior punctuated by vertically coherent structures. However, the temporal signature of the surface flows is modified by inertial motions to yield new cellular evolution patterns and an overall increase in the mobility of the network. The turbulent convection contains vortex tubes of many scales, including large-scale coherent structures spanning the full vertical extent of the domain involving multiple density scale heights. Remarkably, such structures align with the rotation vector via the influence of Coriolis forces on turbulent motions, in contrast with the zonal tilting of streamlines found in laminar flows. Such novel turbulent mechanisms alter the correlations which drive mean shearing flows and affect the convective transport properties. In contrast to this large-scale anisotropy, small-scale vortex tubes at greater depths are randomly orientated by the rotational mixing of momentum, leading to an increased degree of isotropy on the medium to small scales of motion there. Rotation also influences the thermodynamic mixing properties of the convection. In particular, interaction of the larger coherent vortices causes a loss of correlation between the vertical velocity and the temperature leaving a mean stratification which is not isentropic.

Brummell, Nicholas H.↗

NASA NTRS2013

Comparison of Noise Source Localization Data with Flow Field Data Obtained in Cold Supersonic Jets and Implications Regarding Broadband Shock Noise

Phased array noise source localization have been compared with 2 types of flow field data (BOS and PIV). The data show that: 1) the higher frequency noise in a BBSN hump is generated further downstream than the lower frequency noise. This is due to a) the shock spacing decreasing and b) the turbulent structure size increasing with distance downstream. 2) BBSN can be created by very weak shocks. 3) BBSN is not created by the strong shocks just downstream of the nozzle because the turbulent structures have not grown large enough to match the shock spacing. 4) The point in the flow where the shock spacing equals the average size of the turbulent structures is a hot spot for shock noise. 5) Some of the shocks responsible for producing the first hump also produce the second hump.

Podboy, Gary↗

NASA NTRS2016

MMS Observations of Ion-Scale Magnetic Island in the Magnetosheath Turbulent Plasma

In this letter, first observations of ion-scale magnetic island from the Magnetospheric Multiscale mission in the magnetosheath turbulent plasma are presented. The magnetic island is characterized by bipolar variation of magnetic fields with magnetic field compression, strong core field, density depletion, and strong currents dominated by the parallel component to the local magnetic field. The estimated size of magnetic island is about 8 di, where di is the ion inertial length. Distinct particle behaviors and wave activities inside and at the edges of the magnetic island are observed: parallel electron beam accompanied with electrostatic solitary waves and strong electromagnetic lower hybrid drift waves inside the magnetic island and bidirectional electron beams, whistler waves, weak electromagnetic lower hybrid drift waves, and strong broadband electrostatic noise at the edges of the magnetic island. Our observations demonstrate that highly dynamical, strong wave activities and electron-scale physics occur within ion-scale magnetic islands in the magnetosheath turbulent plasma..

Huang, S. Y.↗

DOE OSTI2024

Finite-size subthermal regime in disordered SU ( N ) -symmetric Heisenberg chains

SU⁡(N) symmetry is incompatible with the many-body localized (MBL) phase, even when strong disorder is present. However, recent studies have shown that finite-size SU⁡(2) systems exhibit nonergodic, subthermal behavior, characterized by the breakdown of the eigenstate thermalization hypothesis, and by the excited eigenstates entanglement entropy that is intermediate between area and volume law. In this paper, we extend previous studies of the SU⁡(2)-symmetric disordered Heisenberg model to larger systems, using the time-dependent density matrix renormalization group (tDMRG) method. We simulate quench dynamics from weakly entangled initial states up to long times, finding robust subthermal behavior at stronger disorder. Although we find an increased tendency towards thermalization at larger system sizes, the subthermal regime persists at intermediate time scales, nevertheless, and therefore should be accessible experimentally. At weaker disorder, we observe signatures of thermalization; however, entanglement entropy exhibits slow sublinear growth, in contrast to conventional thermalizing systems. Furthermore, we study dynamics of the SU⁡(3)-symmetric disordered Heisenberg model. Similarly, strong disorder drives the system into subthermal regime, albeit thermalizing phase is broader compared to the SU⁡(2) case. Finally, our findings demonstrate the robustness of the subthermal regime in spin chains with non-Abelian continuous symmetry, and are consistent with eventual thermalization at large system sizes and long time scales, suggested by previous studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Out of time order correlation of the Hubbard model with random local disorder

The out-of-time-order correlator (OTOC) serves as a powerful tool for investigating quantum information spreading and chaos in complex systems. We present a method employing non-equilibrium dynamical mean-field theory and coherent potential approximation combined with diagrammatic perturbation on the Schwinger–Keldysh contour to calculate the OTOC for correlated fermionic systems subjected to both random disorder and electron interaction. Furthermore, our key finding is that random disorder enhances the OTOC decay in the Hubbard model for the metallic phase in the weakly interacting limit. However, the current limitation of our perturbative solver restricts the applicability to weak interaction regimes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Characteristics of thermospheric infrasound predicted using ray tracing and weakly non-linear waveform analyses

Infrasonic signals refracted by thermal gradients in the rarefied upper atmosphere are modeled using a combination of ray tracing and weak shock theory to develop an understanding of thermospheric infrasound signals produced by energetic, transient sources. Canonical arrival structures in the form of u-wave signatures are identified for returns refracted at lower altitudes within the thermosphere, and possible multi-pathing produced by effective sound speed inflections are investigated to elucidate more complex arrival structures, which are found to be spatially localized. Furthermore, variability in the source characteristics is investigated and it is found that whereas some waveform phase information is lost due to finite amplitude effects, arrival characteristics are strongly dependent on the peak overpressure near the source. Variability in the propagation path is considered using archived atmospheric specifications and implies that despite uncertainties related to the dynamic and sparsely sampled nature of the atmosphere, thermospheric signatures might be useful in estimating the yield for explosive sources. Last, thermospheric arrivals from a failed rocket launch, as well as those from several large chemical explosions, are analyzed and it is found that qualitative trends match those predicted, and analyses here provide additional insight into such signatures.

42 ENGINEERING↗

NASA NTRS1993

Corotating MeV/amu ion enhancements at 1 AU or less from 1978 to 1986

The properties of MeV/amu ions in 64 corotating streams at and inside 1 AU associated with corotating high-speed streams from 1978 to 1986 during presolar maximum to near solar minimum conditions are discussed. Around 50 percent of the streams include significant ion intensity enhancements not associated with solar particle events or traveling interplanetary shocks. The ions stream nearly along the E x B drift direction in the spacecraft frame, corresponding to a weak sunward field-aligned streaming in the solar wind frame. The sunward streaming is consistent with particle acceleration in the outer heliosphere followed by diffusion into the inner heliosphere. The ion intensity is not correlated with the stream solar wind speed or with the increase in solar wind speed at the leading edge of the high-speed stream, suggesting that the local shock strength alone may not play a dominant role in determining the intensity.

Richardson, I. G.↗

NASA NTRS1961

Surface Pressures and Heat Transfer on Unswept Blunt Plates in Helium at High Mach Numbers

Pressure distributions and local convective heat-transfer coefficients on a flat plate at zero angle of attack were measured in helium. Data were obtained with various amounts of leading-edge bluntness at Mach numbers of 12.5 and 14.7. The pressures on a sharp leading-edged plate were not influenced by the leading edge and were predicted by the first-order, hypersonic, weak-interaction theory. Pressures on blunt plates were correlated by introducing the leading-edge Reynolds number as a parameter. Measured heat-transfer coefficients on the sharp plate agreed with predictions obtained form existing exact solutions for hear transfer across the laminar boundary layer. For the blunt plates a comparison of theory with experiment indicated that more knowledge of the flow field between the sock wave and plate surface is necessary before an adequate prediction of convective heat transfer can be made. Shock-wave shapes for the blun plates at a Mach number 12.5 and zero angle of attack were measured. At distances between 2 and 60 leading-edge thicknesses from the shock vertex, the shock-wave shapes were found to be represented by a modified form of the blast-wave analogy.

Marvin, Joseph G.↗

NASA NTRS2011

Phase-Controlled Magnetic Mirror for Wavefront Correction

Typically, light interacts with matter via the electric field and interaction with weakly bound electrons. In a magnetic mirror, a patterned nanowire is fabricated over a metallic layer with a dielectric layer in between. Oscillation of the electrons in the nanowires in response to the magnetic field of incident photons causes a re-emission of photons and operation as a "magnetic mirror." By controlling the index of refraction in the dielectric layer using a local applied voltage, the phase of the emitted radiation can be controlled. This allows electrical modification of the reflected wavefront, resulting in a deformable mirror that can be used for wavefront control. Certain applications require wavefront quality in the few-nanometer regime, which is a major challenge for optical fabrication and alignment of mirrors or lenses. The use of a deformable magnetic mirror allows for a device with no moving parts that can modify the phase of incident light over many spatial scales, potentially with higher resolution than current approaches. Current deformable mirrors modify the incident wavefront by using nano-actuation of a substrate to physically bend the mirror to a desired shape. The purpose of the innovation is to modify the incident wavefront for the purpose of correction of fabrication and alignment-induced wavefront errors at the system level. The advanced degree of precision required for some applications such as gravity wave detection (LISA - Laser Interferometer Space Antenna) or planet finding (FKSI - Fourier-Kelvin Stellar Interferometer) requires wavefront control at the limits of the current state of the art. All the steps required to fabricate a magnetic mirror have been demonstrated. The modification is to apply a bias voltage to the dielectric layer so as to change the index of refraction and modify the phase of the reflected radiation. Light is reflected off the device and collected by a phase-sensing interferometer. The interferometer determines the initial wavefront of the device and fore optics. A wavefront correction is calculated, and voltage profile for each nanowire strip is determined. The voltage is applied, modifying the local index of refraction of the dielectric under the nanowire strip. This modifies the phase of the reflected light to allow wavefront correction.

Hagopian, John↗

DOE OSTI2025

Detecting Magnon-phonon coupling in yttrium iron garnet with variable temperature STEM-EELS

Magnons, quanta of spin wave excitations in magnetically ordered materials, have been identified as candidates for several potentially transformative technologies in recent years. Macroscopic techniques, such as neutron scattering or Raman spectroscopy, can be used to identify and analyze magnons, but provide relatively delocalized information about the sample. Understanding how the bonding and local structure of a material interacts with, and influences, the magnon population in a material is a crucial step toward the ability to produce any real-world application utilizing magnons. By leveraging the combined spatial resolution of scanning transmission electron microscopy (STEM) and the energy resolution of monochromated electron energy-loss spectroscopy (EELS) nanoscale analysis of magnons can be performed. While the weak interaction of magnons with the electron beam makes magnon EELS challenging on reasonable timescales, magnon-phonon coupling can be leveraged to understand magnons through their effect on the more easily measured phonons. Here, we examine yttrium iron garnet (YIG) flakes, and demonstrate non-linear, temperature-dependent shifts in the phonon frequencies, consistent with previously described magnon-phonon coupling effects. The ability to measure the temperature-dependence of vibrational frequencies with high precision in individual nanoscale flakes, demonstrates the ability to study magnon-phonon coupling in the STEM with unprecedented spatial resolution.

Reifsnyder, Alexander [ORNL]↗

DOE OSTI2020

Yield ratio of hypertriton to light nuclei in heavy-ion collisions from = 4.9 GeV to 2.76 TeV *

Abstract We argue that the difference in the yield ratio measured in Au+Au collisions at = 200 GeV and in Pb-Pb collisions at = 2.76 TeV is mainly owing to the different treatment of the weak decay contribution to the proton yield in the Au+Au collisions at = 200 GeV. We then use the coalescence model to extract from measured the information about the and nucleon density fluctuations at the kinetic freeze-out of heavy-ion collisions. We also show, using available experimental data, that the yield ratio is a more promising observable than for probing the local baryon-strangeness correlation in the produced medium.

Physics↗

DOE OSTI2025

Weakly supervised anomaly detection for resonant new physics in the dijet final state using proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

An anomaly detection search for narrow-width resonances beyond the Standard Model that decay into a pair of jets is presented. The search is based on 139 fb −1 of proton-proton collisions at $\sqrt{s}$ = 13 TeV recorded during 2015–2018 with the ATLAS detector at the Large Hadron Collider. The analysis is optimized without a particular signal model and aims to be sensitive to a broad range of new physics. It uses two different machine learning strategies to estimate the background in different signal regions. In each region, a weakly supervised classifier is trained to distinguish this background model from data. The analysis focuses on events with high transverse momentum jets reconstructed as large-radius jets. The mass and substructure of these jets are used as inputs to the classifiers. After a classifier-based selection, the distribution of the invariant mass of the two jets is used to search for potential local excesses. The model-independent results of both the anomaly detection methods show no signs of significant local excesses. In addition to model-independent results, a representative set of signal models is injected into the data, and the sensitivity of the methods to these scenarios is reported.

Aad, G. [Aix-Marseille Université] (ORCID:00000002↗

DOE OSTI2023

Magnetization dynamics with time-dependent spin-density functional theory: Significance of exchange-correlation torques

In spin-density functional theory (SDFT) for noncollinear magnetic materials, the Kohn-Sham system features exchange-correlation (xc) scalar potentials and magnetic fields. The significance of the xc magnetic fields is not very well explored; in particular, they can give rise to local torques on the magnetization, which are absent in standard local and semilocal approximations. Here, exact benchmark solutions for a five-site extended Hubbard lattice at half filling and in the presence of spin-orbit coupling are compared with SDFT results obtained using orbital-dependent exchange-only approximations. The magnetization dynamics following short-pulse excitations is found to be reasonably well described in the exchange-only approximation for weak to moderate interactions. For stronger interactions and near transitions between magnetically ordered and frustrated phases, exchange and correlation torques tend to compensate each other and must both be accounted for.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2009

Improved Blackbody Temperature Sensors for a Vacuum Furnace

Some improvements have been made in the design and fabrication of blackbody sensors (BBSs) used to measure the temperature of a heater core in a vacuum furnace. Each BBS consists of a ring of thermally conductive, high-melting-temperature material with two tantalum-sheathed thermocouples attached at diametrically opposite points. The name "blackbody sensor" reflects the basic principle of operation. Heat is transferred between the ring and the furnace heater core primarily by blackbody radiation, heat is conducted through the ring to the thermocouples, and the temperature of the ring (and, hence, the temperature of the heater core) is measured by use of the thermocouples. Two main requirements have guided the development of these BBSs: (1) The rings should have as high an emissivity as possible in order to maximize the heat-transfer rate and thereby maximize temperature-monitoring performance and (2) the thermocouples must be joined to the rings in such a way as to ensure long-term, reliable intimate thermal contact. The problem of fabricating a BBS to satisfy these requirements is complicated by an application-specific prohibition against overheating and thereby damaging nearby instrumentation leads through the use of conventional furnace brazing or any other technique that involves heating the entire BBS and its surroundings. The problem is further complicated by another application-specific prohibition against damaging the thin tantalum thermocouple sheaths through the use of conventional welding to join the thermocouples to the ring. The first BBS rings were made of graphite. The tantalum-sheathed thermocouples were attached to the graphite rings by use of high-temperature graphite cements. The ring/thermocouple bonds thus formed were found to be weak and unreliable, and so graphite rings and graphite cements were abandoned. Now, each BBS ring is made from one of two materials: either tantalum or a molybdenum/titanium/zirconium alloy. The tantalum-sheathed thermocouples are bonded to the ring by laser brazing. The primary advantage of laser brazing over furnace brazing is that in laser brazing, it is possible to form a brazed connection locally, without heating nearby parts to the flow temperature of the brazing material. Hence, it is possible to comply with the prohibition against overheating nearby instrumentation leads. Also, in laser brazing, unlike in furnace brazing, it is possible to exert control over the thermal energy to such a high degree that it becomes possible to braze the thermocouples to the ring without burning through the thin tantalum sheaths on the thermocouples. The brazing material used in the laser brazing process is a titanium-boron paste. This brazing material can withstand use at temperatures up to about 1,400 C. In thermal-cycling tests performed thus far, no debonding between the rings and thermocouples has been observed. Emissivity coatings about 0.001 in. (.0.025 mm) thick applied to the interior surfaces of the rings have been found to improve the performance of the BBS sensors by raising the apparent emissivities of the rings. In thermal-cycling tests, the coatings were found to adhere well to the rings.

Farmer, Jeff↗

DOE OSTI2025

Atmospheric River Frequency-Category Characteristics Shape U.S. West Coast Runoff

Abstractrunoff response to atmospheric rivers (ARs) over the U.S. West Coast. We focused on runoff time series variations impacted by AR characteristics (e.g., category and frequency) and land preconditions during Northern Hemisphere cool seasons in the period of 1940–2023. Results show that high-category ARs significantly increase local runoff with higher hourly precipitation rates leading to a greater incremental rate and peak runoff. Extreme runoff increases greatly with the AR category with an increase rate up to 12.5 times stronger than non-extreme runoff. Besides the AR category, land preconditions such as soil moisture and snowpack also play crucial roles in modulating runoff response. We found that runoff induced by weak-category ARs is more sensitive to land preconditions than high-category ARs, with high peak runoff occurring when soil is nearly saturated. Additionally, more than 50% of high-peak-runoff events in snow-covered grid cells are associated with rain-on-snow events particularly for the events associated with weaker ARs. Regression analysis reveals that AR precipitation and land preconditions jointly influence runoff, emphasizing the importance of including soil moisture and snowpack levels in AR impact assessments. The study also highlights the intensified runoff response to back-to-back ARs with short intervals, which may become more frequent with climate warming, posing increased flood risks via facilitating wet soil conditions. Our findings have significant implications for AR risk predictions and the development of prediction models for AR-induced runoff.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Ripple-induced neoclassical toroidal viscous torque in Augmented-First Plasma operation phase in ITER

Abstract A systematic calculation is performed on the ripple-induced neoclassical toroidal viscous (NTV) torque for new ITER scenarios designed for the Augmented-First Plasma (A-FP) operation phase with the full tungsten wall, where the plasma-wall gap is varied in view of mitigating the impact of tungsten wall-plasma interactions. The torque calculation includes drift kinetic response of the plasma thermal and energetic particles to the n = 18 ( n is the toroidal harmonic number) ripple field. For the plasma scenario with ~45 cm plasma-wall gap at the outboard mid-plane and considering the corrected ripple level of 0.17% by the ferritic steel inserts, the computed net NTV torque acting on the plasma column is in the sub-Nm level. However, with decreasing the plasma-wall gap, the computed net NTV torque can reach a level comparable to that produced by the neutral-beam momentum injection in ITER. Ripple correction by ferritic inserts reduces the net torque by a factor of 3.3 for all the three A-FP scenarios considered. The n ω d = l ω b (with ω d and ω b being the toroidal precession and bounce frequencies of trapped particles, respectively, and l an integer number) type of resonance-enhancement of the NTV torque, due to thermal particles, is found to be weak in ITER despite high- n of 18. The same also holds for the ITER 10 MA steady state scenario from the D-T operation phase, where the aforementioned resonance associated with fusion-born alphas is also included. The ripple-induced NTV torque is well below that produced by the resonant magnetic perturbation applied for controlling the type-I edge-localized mode in ITER.

ITER↗