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DOE OSTI2024

Epitaxial heterointerfacial electron bridge synchronizes oxygen evolution activity and stability on a layered double hydroxide surface

Scalable green hydrogen production via electrocatalytic water splitting is largely restricted by the insufficient activity and stability of oxygen evolution reaction (OER) catalysts at the anode. As a class of the most active OER catalysts in alkaline electrolyzers, the application of layered double hydroxides (LDHs) remains a main challenge owing to the unstable lattice oxygen dissolution due to the dominant lattice oxygen-involving OER mechanism during long-term operation. Herein, we found that using an epitaxial hetero-interfacing nickel hydroxide (namely Ni(OH) 2 ) as an electron bridge between an active FeCo LDH and Ni foam support to form an LDH*/NFO catalyst, the electronic storage capacity around the Fermi level (-0.5 to +0.5 eV, e-D FE ) sharply increases from 0.93 per cell to 1.51 per cell. Subsequently, we demonstrate that this high e-D FE enables ceaseless and fast power injection into the kinetic process of intermediate species conversion and inhibits lattice oxygen dissolution in the active FeCo LDH. Consequently, it demonstrated a low OER overpotential of 246 mV at a current density of 100 mA cm -2 and ultrahigh stability for up to 3500 hours with an ultraslow overpotential increase rate of 9.4 × 10 -3 mV h -1 . Therefore, we developed an epitaxial hetero-interfacial electron bridging strategy to synchronize the activity and stability of available catalysts for scalable green hydrogen production via electrocatalytic water splitting.

25 ENERGY STORAGE↗

NASA NTRS1990

A homogeneous sample of binary galaxies: Basic observational properties

A survey of optical characteristics for 585 binary systems, satisfying a condition of apparent isolation on the sky, is presented. Influences of various selection effects distorting the average parameters of the sample are noted. The pair components display mutual similarity over all the global properties: luminosity, diameter, morphological type, mass-to-luminosity ratio, angular momentum etc., which is not due only to selection effects. The observed correlations must be caused by common origin of pair members. Some features (nuclear activity, color index) could acquire similarity during synchronous evolution of double galaxies. Despite the observed isolation, the sample of double systems is seriously contaminated by accidental pairs, and also by members of groups and clusters. After removing false pairs estimates of orbital mass-to-luminosity ratio range from 0 to 30 f(solar), with the mean value (7.8 plus or minus 0.7) f(solar). Binary galaxies possess nearly circular orbits with a typical eccentrity e = 0.25, probably resulting from evolutionary selection driven by component mergers under dynamical friction. The double-galaxy population with space abundance 0.12 plus or minus 0.02 and characteristic merger timescale 0.2 H(exp -1) may significantly influence the rate of dynamical evolution of galaxies.

Karachentsev, I. D.↗

NASA NTRS1993

Analysis of the effects of mean local node-crossing time on the evolution of Sun-synchronous orbits

An investigation of the effect of mean local node-crossing time on the evolution of Sun-synchronous orbits was undertaken during Phase-A orbit analysis for the National Oceanic and Atmospheric Administration (NOAA) O,P,Q environmental spacecraft. That analysis added to the growing body of evidence that individual Sun-synchronous missions, at differing node-crossing times, experience nodal drift rates that can differ in both magnitude and direction. A Sun-synchronous orbit is obtained by means of a nodal drift rate approximating the 0.9856-degree-per-day apparent precession of the position of the mean Sun. This drift rate is achieved through the interaction of the orbital semimajor axis and inclination in Earth's geopotential field. Influencing perturbations include atmospheric drag and, most important, the effects of solar gravitation on inclination. The present analysis examines a series of Sun-synchronous orbits with mean local node-crossing times at 1-hour intervals from 6 a.m. to 6 p.m. It considers the fixed geometry of each orbital plane with respect to both the Sun and the diurnal atmospheric bulge, then analyzes the influence of these features upon the evolution of the semimajor axix and inclination and thus upon the rate of the nodal drift in the course of 1 year.

Jordan, P.↗

DOE OSTI2023

Stochastic transition in synchronized spiking nanooscillators

This work reports that synchronization of Mott material-based nanoscale coupled spiking oscillators can be drastically different from that in conventional harmonic oscillators. We investigated the synchronization of spiking nanooscillators mediated by thermal interactions due to the close physical proximity of the devices. Controlling the driving voltage enables in-phase 1:1 and 2:1 integer synchronization modes between neighboring oscillators. Transition between these two integer modes occurs through an unusual stochastic synchronization regime instead of the loss of spiking coherence. In the stochastic synchronization regime, random length spiking sequences belonging to the 1:1 and 2:1 integer modes are intermixed. The occurrence of this stochasticity is an important factor that must be taken into account in the design of large-scale spiking networks for hardware-level implementation of novel computational paradigms such as neuromorphic and stochastic computing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

Nature of polariton transport in a Fabry-Perot cavity

Fabry-Perot microcavities can strongly enhance interactions between light and molecules, leading to the formation of hybrid light-matter states known as polaritons. Polaritons possess much smaller effective masses and much larger group velocities when the molecules are resonant with cavity modes that have finite (nonzero) in-plane wave vectors, giving rise to the possibilities of long-range and ultrafast ballistic transport. In this paper, we present the results of numerical simulations of the ultrafast ballistic transport phenomenon in real space and time during and after initialization with a short, spatially localized pulse. Here, we address this problem with two approaches: the standard transfer-matrix method (TMM) for planar structures and a second simulation based on the numerical solution of the Maxwell-Bloch equations that can be used for general configurations (complex metasurfaces, for instance) and excitation modes. The agreement between the TMM and the full numerical calculation with the Maxwell-Bloch equations when applied to multilayer planar configurations provides proof of the validity of both approaches for the present analyses. Overall, we find that the transport of the molecular excitons inside the cavity synchronize with the evolution of the enhanced electromagnetic field inside the cavity. Moreover, the synchronized transport rate is in good agreement with the group velocities predicted from a calculated dispersion relation across a wide range of frequencies. Finally, we relate the group velocity to the Hopfield coefficient obtained from quantum modeling and suggest that the dependence of light-matter coupling on the in-plane wave vector can be an important but overlooked factor for understanding the transport behavior of polaritons. These simulations provide an intuitive tool for understanding the collective motion of light and excitons and helps us to better understand how experimental observations of polaritons should be interpreted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Evolution of Charge-Lattice Dynamics across the Kuramoto Synchronization Phase Diagram of Quantum Tunneling Polarons in Cuprate Superconductors

Because of its sensitivity to the instantaneous structure factor, S(Q,t = 0), Extended X-ray Absorption Fine Structure (EXAFS) is a powerful tool for probing the dynamic structure of condensed matter systems in which the charge and lattice dynamics are coupled. When applied to hole-doped cuprate superconductors, EXAFS has revealed the presence of internal quantum tunneling polarons (IQTPs). An IQTP arises in EXAFS as a two-site distribution for certain Cu–O pairs, which is also duplicated in inelastic scattering but not observed in standard diffraction measurements. The Cu–Sr pair distribution has been found to be highly anharmonic and strongly correlated to both the IQTPs and to superconductivity, as, for example, in YSr 2 Cu 2.75 Mo 0.25 O 7.54 (T c =84 K). In order to describe such nontrivial, anharmonic charge-lattice dynamics, we have proposed a model Hamiltonian for a prototype six-atom cluster, in which two Cu-apical-O IQTPs are charge-transfer bridged through Cu atoms by an O atom in the CuO 2 plane and are anharmonically coupled via a Sr atom. By applying an exact diagonalization procedure to this cluster, we have verified that our model indeed produces an intricate interplay between charge and lattice dynamics. Then, by using the Kuramoto model for the synchronization of coupled quantum oscillators, we have found a first-order phase transition for the IQTPs into a synchronized, phase-locked phase. Most importantly, we have shown that this transition results specifically from the anharmonicity. Finally, we have provided a phase diagram showing the onset of the phase-locking of IQTPs as a function of the charge-lattice and anharmonic couplings in our model. We have found that the charge, initially confined to the apical oxygens, is partially pumped into the CuO 2 plane in the synchronized phase, which suggests a possible connection between the synchronized dynamic structure and high-temperature superconductivity (HTSC) in doped cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Minimizing Inter‐Lattice Strain to Stabilize Li‐Rich Cathode by Order–Disorder Control

Li-rich Mn-based layered (LMR) cathodes with anionic redox chemistry show great potential for next-generation sustainable Li-ion battery (LIB) applications due to the low cost and high energy density. However, the asynchronous structural evolutions with cycling in the heterogeneous composite structure of LMR lead to serious lattice strain and thus fast electrochemical decay, which hinders the commercialization of LMR cathodes. Here, in this study, an order–disorder coherent LMR cathode is demonstrated that exhibits a higher average voltage (by 0.25 V), negligible voltage decay (97.6% voltage retention after 100 cycles at 100 mA g −1 ), and enhanced cycling stability (98% capacity retention after 200 cycles at 100 mA g −1 ) compared to its layered oxide counterparts. It is proposed that this order–disorder coherent structure design can promote a more synchronous and homogeneous structure evolution during charge and discharge, thus minimizing lattice strain, which significantly prevents layer collapse and collective degradation at high voltage, improving the electrochemical stability. The study displays the feasibility of optimizing the performance of Li-rich cathode materials through a dedicated order–disorder structure control for sustainable energy storage.

Xu, Shenyang [Peking University, Shenzhen (China)]↗

DOE OSTI2022

A detailed analysis of the dynamics of fast neutrino flavor conversions with scattering effects

We calculate the dynamics of fast neutrino flavor conversions with Boltzmann collisions of neutrino scatterings in a homogeneous system. We find the enhancement or suppression of the flavor conversions in various setups of the collision terms. We analyze the mechanism of fast flavor conversions based on the motion of polarization vectors in the cylindrical coordinate analogous to a pendulum motion. The phases of the all the polarization vectors synchronize in the linear evolution phase, and the phase deviation from the Hamiltonian governs the neutrino flavor conversions. In a non-linear regime of flavor conversions, the collision terms induce a spiral motion of the polarization vector and gradually make the phase space smaller. The collision terms align all of the polarization vectors, and the flavor conversions eventually settle into equilibrium when the distributions of neutrinos become isotropic. Though our current analysis does not fully clarify the non-linear phenomena of fast flavor conversions, the framework of the pendulum motion gives a new insight into this complicated phenomenon that will be helpful in further studies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1987

Synchronization-induced period gaps and ultra-short periods in magnetic cataclysmic binaries

The effects of synchronization on the dynamical evolution of magnetic cataclysmic binaries are investigated theoretically by means of numerical simulations. The results are presented graphically and characterized in detail. It is found that these binary systems can be brought out of contact, producing a period gap. It is inferred that DQ Her stars can evolve into AM Her stars, and that binaries with hydrogen-rich companions can have periods shorter than the conventional limit of 72 h.

Lamb, D. Q.↗

DOE OSTI2025

Kinetically Dormant Ni‐Rich Layered Cathode During High‐Voltage Operation

Abstract The degradation of Ni‐rich cathodes during long‐term operation at high voltage has garnered significant attention from both academia and industry. Despite many post‐mortem qualitative structural analyses, precise quantification of their individual and coupling contributions to the overall capacity degradation remains challenging. Here, by leveraging multiscale synchrotron X‐ray probes, electron microscopy, and post‐galvanostatic intermittent titration technique, the thermodynamically irreversible and kinetically reversible capacity loss is successfully deconvoluted in a polycrystalline LiNi 0.83 Mn 0.1 Co 0.07 O 2 cathode during long‐term charge/discharge cycling in full cell configuration. Contradicting the dramatic capacity loss, the layered structure remains highly alive even after 1000 cycles at 4.6 V while undergoing a three‐order of magnitude reduction in the mass transfer kinetics, leading to almost fully recoverable capacity under kinetic‐free conditions. Such kinetic dormant behavior after cycling is not simply ascribed to poor chemical diffusion by reconstructed cathode surface but highly synchronizes with the lattice strain evolution stemming from the structural heterogeneity between deeply delithiated layered and degraded rock‐salt phases at high voltage. These findings deepen the degradation mechanism of high‐voltage cathodes to achieve long‐cycling and fast‐charging performance.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Nanobubble Formation and Coverage during High Current Density Alkaline Water Electrolysis

Gas bubbles are a necessary byproduct of water electrolysis whereby hydrogen and oxygen are produced from water. These attached gases reduce the electrode’s active area, which necessitates a deep understanding of the bubble life cycle starting from nanobubbles. Synchronized with the electrochemistry, the time evolution of the surface nanobubble size and coverage is resolved using grazing incidence small-angle X-ray scattering (GISAXS) and correlated with optical microscopy and theoretical calculations to show that a significant portion of the surface is covered in nanobubbles after larger micron-sized bubbles are observed. Further, these nanobubbles increase in number and decrease in size, toward 2 nm diameter, with the charge passed. The trend in size and number is consistent with an increase in supersaturation, which reduces the nascent bubble size. Altogether, this study suggests a significant portion of the surface contains nanobubbles and that strategies to reduce the dissolved hydrogen would be effective at reducing the nanobubble surface coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Pedestal formation via different trajectories in the stability space in response to the timing scan of neutral beam heating in DIII-D

The frequency of type-I ELMs decreases as the initiation of the neutral beam injection (NBI) heating is delayed with respect to the time when plasma current (I p ) reaches flat-top in the ITER Baseline Scenario discharges in DIII-D. Henceforth, the time gap between the NBI initiation and I p flat-top will be referred to as “heating delay.” As the heating delay is modified, pedestal formation follows different trajectories in the edge current density–pedestal pressure gradient (j edge -∇p e ped ) space from the L-H transition toward the first ELM event. During the stationary phase after the first ELM, the ELM frequency (f ELM ) decreases by a factor of ~2 as the heating delay is increased. A longer pedestal recovery time in the inter-ELM period is observed for the low f ELM discharges as compared to the high f ELM discharges. Both low and high f ELM discharges show nearly identical profiles of electron density and temperature and have a similar MHD stability just before an ELM crash. However, a marked difference is observed in the magnetic spectrogram of the high and low f ELM discharges in response to the variation in the heating delay. The main difference is in the 200–400 kHz range of the magnetic spectra. A quasi-coherent mode (QCM) at 220 kHz and weaker broadband fluctuations are observed in the high f ELM discharges, while only strong broadband fluctuations are prevalent in the low f ELM discharges. ELM-synchronized analysis shows that the time evolution of these modes is different for the high and low f ELM discharges. The localization of both these modes is confirmed at the maximum gradient region of the pedestal. We hypothesize that these modes cause important pedestal transport and that the difference in the pedestal recovery of the high and low f ELM discharges is a result of the difference in transport driven by these modes, as they change with changes in the heating delay. It is demonstrated experimentally for the first time that discharges with similar pedestal parameters can carry the history of the heating delay into the stationary phase and that changes in turbulent-driven transport are a likely cause of changes in f ELM observed with variations of heating delay.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

Double-core evolution. 5: Three-dimensional effects in the merger of a red giant with a dwarf companion

The evolution of the common envelope phase of a binary system consisting of a 4.67 solar mass red giant and a 0.94 solar mass dwarf is studied using smoothed particle hydrodynamics. We demonstrate that the three-dimensional effects associated with the gravitational tidal torques lead to a rapid decay of the orbit on timescales approximately less than 1 yr. The relative orbit of the two cores in the common envelope is initally eccentric and tends to circularize as the orbital separation of the two cores decreases. The angular momentum lost from the orbital motion is distributed throughout the common envelope, and the double core does not evolve to a state of co-rotation for the evolutionary time followed. The energy dissipated from the relative orbit and deposited in the common envelope results in the ejection of approximately 13% of the mass of the envelope. The mass is ejected in all directions, but there is a preference for mass ejection in the orbital plane of the binary system. For example, approximately 80% of the ejected mass lies within 30 deg of the binary orbital plane. Because gravitational forces are long range, most of the energy and angular momentum is imparted to a small fraction of the common envelope resulting in an efficiency of the mass ejection process of approximately 15%. The core of the red giant executes significant displacement with respect to the center of mass of the system and contributes nearly equally to the total energy dissipation rate during the latter phases of the evolution. The degree of departure from synchronism of the initial binary system can be an important property of the system which can affect the outcome of the common envelope phase.

Terman, James L.↗

NASA NTRS1988

Evolution of magnetic cataclysmic binaries

The evolution of magnetic cataclysmic binaries is reviewed, with emphasis on the synchronization process by which DQ Herculis stars become AM Herculis stars. The various mechanisms that are thought to drive the evolution of cataclysmic binaries are discussed, and the criterion for stream versus disk accretion, the physics of the accretion and synchronization torques, and the conditions required for synchronization are described. The different physical regimes to which magnetic cataclysmic binaries belong are summarized, and how synchronization may be achieved, and how it may be broken, are considered.

Lamb, Don Q.↗

NASA NTRS1987

Rotational dynamics of irregularly shaped natural satellites

The rotational histories of irregularly shaped satellites are studied and are found to differ from the standard picture of tidal evolution of satellite rotations. Prior to capture into the synchronous rotation resonance, a narrow attitude-unstable chaotic zone is entered and the satellite begins to tumble chaotically. It is noted that enhanced dissipation of energy during the chaotic-tumbling phase may effect the orbital evolution. The theory suggests that, eventually, the rotation stays close to one of the accessible attitude-stable islands long enough for the weak tidal torque to remove the satellite from the chaotic zone.

Wisdom, Jack↗

NASA NTRS1987

The period and magnetic field distributions of cataclysmic variables - Implications for their evolution

Comparison of the period distributions of various classes of CVs confirms an extreme bias of the synchronous AM Her systems toward short orbital periods, while the DQ Her systems do not differ significantly from the distribution of nonmagnetic systems. This suggests either strong selection effects or enhanced evolution of the AM Her systems. There is as yet no obvious bimodality in either the magnetic field distributions of isolated white dwarfs or of CV primaries. However, clear differences between the two exist: the strongest being that magnetic primaries are overrepresented among short period CVs by more than an order of magnitude in comparison to the field white dwarfs.

Schmidt, G. D.↗

DOE OSTI2022

Double echo symmetry-based REDOR and RESPDOR pulse sequences for proton detected measurements of heteronuclear dipolar coupling constants

1 H{X} symmetry-based rotational echo double resonance pulse sequences (S-REDOR) and symmetry-based rotational echo saturation pulse double resonance (S-RESPDOR) solid-state NMR experiments have found widespread application for 1 H detected measurements of difference NMR spectra, dipolar coupling constants, and internuclear distances under conditions of fast magic angle spinning (MAS). In these experiments the supercycled $\text{R4}^2_1 (\text{SR4}^2_1)$ symmetry-based recoupling pulse sequence is typically applied to the 1 H spins to reintroduce heteronuclear dipolar couplings. However, the timing of $\text{SR4}^2_1$ and other symmetry-based pulse sequences must be precisely synchronized with the rotation of the sample, otherwise, the evolution of 1 H CSA and other interactions will not be properly refocused. For this reason, significant distortions are often observed in experimental dipolar dephasing difference curves obtained with S-REDOR or S-RESPDOR pulse sequences. Here we introduce a family of double echo (DE) S-REDOR/S-RESPDOR pulse sequences that function in an analogous manner to the recently introduced $t_1$-noise eliminated (TONE) family of dipolar heteronuclear multiple quantum coherence (D-HMQC) pulse sequences. Through numerical simulations and experiments the DE S-REDOR/S-RESPDOR sequences are shown to provide dephasing difference curves similar to those obtained with S-REDOR/S-RESPDOR. However, the DE sequences are more robust to the deviations of the MAS frequency from the ideal value that occurs during typical solid-state NMR experiments. In this work, the DE sequences are shown to provide more reliable 1 H detected dipolar dephasing difference curves for nuclei such as 15 N (with isotopic labelling), 183 W and 35 Cl. The double echo sequences are therefore recommended to be used in place of conventional S-REDOR/S-RESPDOR sequences for measurement of weak dipolar coupling constants and long-range distances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

Gateway Program Progress and Overview

This paper provides an overview and status of the Gateway, which will be a small, human-tended space station in orbit around the Moon. The National Aeronautics and Space Administration (NASA) leads the Program and serves as the integrator of the spaceflight capabilities and contributions of U.S. commercial partners and international partners to develop the Gateway. Gateway is the cornerstone of sustainable deep space human exploration and is an essential element of the infrastructure necessary for the execution of the Artemis missions to the Moon. This paper will outline the current planned configuration and deployment of the station, describing the concept of operations and how Gateway supports both lunar surface missions and also serves as the springboard for exploration deeper in space. Calendar year 2022 will see the accomplishments of major milestones such as over twenty systems preliminary design reviews (PDRs), a Program-wide PDR-informed synchronization review, and NASA Key Decision Point marking the evolution of the program as a whole from the formulation phase and into implementation. This paper will provide a progress update for each major component of the Gateway: The Power and Propulsion Element; the Habitation and Logistics Outpost (HALO); Deep Space Logistics; the International Habitation module; the European System Providing Refueling, Infrastructure, and Telecommunications (ESPRIT), which includes a Refueler Module and the HALO Lunar Communications System; External Robotics System; and an Airlock with both science and crew capabilities. For each component, the paper will describe the current maturity of the modules, acquisition strategy, contracts, and if applicable, international partnership status. This paper will also outline the integration function the Gateway Program Office performs at the NASA Johnson Space Center, including the multilateral governance structure and cross-program interfaces across Artemis.

Gateway↗