Oxidative Electrochemical Coupling Between Bi and Mn in Rechargeable Alkaline MnO2 Cathodes
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36 MATERIALS SCIENCE↗
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Recent advances in coupled cluster computations of open-shell atomic nuclei
In this contribution, we report on recent progress in coupled-cluster simulations of open-shell atomic nuclei using interactions consistently derived from chiral effective field theory. In particular, we compare different coupled-cluster approaches by computing binding energies and electric dipole polarizabilities in medium-mass calcium isotopes.
Marino, Francesco [Johannes Gutenberg Univ., Mainz↗
A novel approach to RF power coupling in Radio-Frequency Quadrupole (RFQ) structures: built-in coaxial double-loop coupling port
Efficient and reliable RF power couplers in accelerating cavities require precise impedance matching and mechanical stability to ensure optimal beam energy transfer. In radio-frequency quadrupole (RFQ) accelerators, power is commonly delivered using waveguide iris or coaxial loop couplers. Iris couplers can handle high RF power but lack tunability, while coaxial loop couplers offer tuning flexibility but are limited in power handling and thermal performance. We propose a new RFQ power coupling concept utilizing a single input coaxial center-fed double-loop antenna built into a vane in an RFQ structure . The design integrates back-to-back loops into the RFQ vanes, fed by a TEM coaxial transmission line with standard 50-Ω characteristic impedance. The configuration can allow straightforward and easy ceramic window replacement without retuning, and coupling strength is adjusted with protruding tuning rods. Numerical simulations, performed with both a simplified RFQ model and the Spallation Neutron Source RFQ, demonstrate improved RF performance and reduced dipole mode excitation. The results establish the coaxial double-loop coupler as a practical alternative for high-power RFQ coupling applications.
Lee, Sung-Woo [ORNL] (ORCID:000000030915835X)↗
Conformal electrochemical deposition of intermetallic AuCu thin films for convergent C–N coupling
A compositionally tunable series of AuCu films is active for electrocatalytic urea generation from carbon dioxide and nitrate.
Gerke, Carter S. [Department of Chemistry, Johns H↗
Disentangling atmospheric, hydrological, and coupling uncertainties in compound flood modeling within a coupled Earth system model
Compound riverine and coastal flooding is usually driven by complex interactions among meteorological, hydrological, and ocean extremes. However, existing efforts to model this phenomenon often do not integrate hydrological processes across atmosphere–land–river–ocean systems, leading to substantial uncertainties that have not been fully examined. To bridge this gap, we leverage the new capabilities of the Energy Exascale Earth System Model (E3SM) that enable a multi-component framework that integrates coastally refined atmospheric, terrestrial, and oceanic components. We evaluate compound uncertainties arising from two-way land–river–ocean coupling in E3SM and track the cascading meteorological and hydrological uncertainties through ensemble simulations over the Delaware River basin and estuary during Hurricane Irene (2011). Our findings highlight the importance of two-way river–ocean coupling to compound flood modeling and demonstrate E3SM's capability in capturing compound flood extent near the coast, with a hit rate over 0.75. Our study shows the growing uncertainties that transition from atmospheric forcings to flood distribution and severity. Furthermore, an analysis based on artificial neural networks is used to assess the roles of hydrological drivers, such as infiltration and soil moisture, in the generation of compound flooding. The response of compound floods to tropical cyclones (TCs) is found to be susceptible to these often overlooked drivers. For instance, the flooded area could increase more than 2-fold (∼2.4) if Hurricane Irene were preceded by an extreme antecedent soil moisture condition (AMC). The results not only support the use of a multi-component framework for interactive flooding processes, but also underscore the necessity of broader definitions of compound flooding that encompass the simultaneous occurrence of intense precipitation, storm surge, and high AMC during TCs.
Feng, Dongyu [Pacific Northwest National Laborator↗
Methyl Viologen Lead Iodide for Photocatalytic Reductive Coupling of Aromatic Carbonyls via Proton-Coupled Electron Transfer
Organic–inorganic metal halides (OIMHs) have emerged as promising photocatalysts for organic transformations due to their excellent optoelectronic properties. However, their instability, particularly under protic conditions, has limited their broader applications. Here, we report that a facilely prepared methyl viologen lead iodide (MVPb 2 I 6 ) powder can efficiently catalyze the visible-light-driven reductive coupling of aromatic aldehydes and ketones in protic solvents. Remarkably, MVPb 2 I 6 retains its structural integrity after photoreduction, highlighting its robustness. These results suggest that incorporating quaternary pyridinium cations into the OIMHs can enhance their stability and expand their applicability in photocatalytic organic synthesis.
organic-inorganic hybrid composites↗
Radiative corrections relating leptoquark-fermion couplings probed at low and high energy
Scalar leptoquarks (LQ) with masses between 2 TeV and 50 TeV are prime candidates to explain deviations between measurements and Standard-Model predictions in decay observables of b-flavored hadrons (“flavor anomalies”). Explanations of low-energy data often involve $\mathcal{O}$ (1) LQ-quark-lepton Yukawa couplings, especially when collider bounds enforce a large LQ mass. This calls for the calculation of radiative corrections involving these couplings. Studying such corrections to LQ-mediated b → cτν and b → sℓ + ℓ − amplitudes, we find that they can be absorbed into finite renormalizations of the LQ Yukawa couplings. If one wants to use Yukawa couplings extracted from low-energy data for the prediction of on-shell LQ decay rates, one must convert the low-energy couplings to their high-energy counterparts, which subsume the corrections to the on-shell LQ-quark-lepton vertex. We present compact formulae for these correction factors and find that in scenarios with S 1 , R 2 , or S 3 LQ the high-energy coupling is always smaller than the low-energy one, which weakens the impact of collider data on the determination of the allowed parameter spaces. For the R 2 scenario addressing b → cτν, in which one of the two involved Yukawa coupling must be significantly larger than 1, we find this coupling reduced by 15% at high energy. If both S 1 and R 2 are present, the high-energy coupling can also be larger and the size of the correction is unbounded, because tree contribution and vertex corrections involve different couplings. We further present the conversion formula to the $\overline{MS}$ scheme for the Yukawa couplings of the S 3 scenario.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
BlueCRAB Domain Overlapping Coupling: Theory & Verification
Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.
22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
Ultrafast Dynamics of Plasmon-Coupled Excitons in Semiconducting Nanoplatelets
Exciton-plasmon coupling in nanomaterials produces many relevant phenomena for photonics applications including increased light-matter interactions, enhanced radiative rates of quantum emitters, and coherent energy exchange. In the case of exciton coupling to surface plasmon polaritons (SPPs), dispersive interactions controlled by the wavevector of optical excitation create the opportunity for tunable optical emission. Strong temporal impacts on exciton lifetimes can also occur in coupled systems, creating the opportunity for ultrafast control of exciton lifetime via changes in electronic coupling magnitude to a dispersive SPP. The coupling strength can be impacted by the morphology of the nanomaterials. Here, in this study, we utilize colloidal semiconductor nanoplatelets deposited onto thin silver plasmonic films, and compare the results to semiconductor quantum dots deposited on the silver films. We map the dispersion of the coupled systems and measure the ultrafast transient absorption response of the coupled systems. Due to the larger interaction areas of the nanoplatelets that lie flat on the silver films, a greater degree of coupling is found for the nanoplatelets, and much faster temporal responses are found as compared to quantum dots. Fresnel theory calculations that incorporate heavy and light hole features can reproduce the dispersion of the nanoplatelet-silver film, and a simple three-state model is developed to provide insights into the nature of the coupling at different photon energies along the dispersion curve.
colloidal semiconductor nanoplatelets↗
Selective electron-phonon coupling strength from nonequilibrium optical spectroscopy: The case of MgB 2
The coupling between quasiparticles and bosonic excitations rules the energy transfer pathways in condensed matter systems. The possibility of inferring the strength of specific coupling channels from their characteristic timescales measured in nonequilibrium experiments is still an open question. Here, in this study, we investigate MgB 2 , in which conventional superconductivity at temperatures as high as 39 K is mediated by the strong coupling between the conduction electrons and the 𝐸 2𝑔 phonon mode. By means of broadband time-resolved optical spectroscopy, we show that this selective electron-phonon coupling dictates the nonequilibrium optical response of MgB 2 at early times (<100 fs) after photoexcitation. Furthermore, based on an effective temperature model analysis, we estimate its contribution to the total electron-boson coupling function extracted from complementary equilibrium spectroscopy approaches, namely, optical reflectivity and angle-resolved photoemission spectroscopy. The coupling strength with the 𝐸 2𝑔 phonon modes is thus estimated to be 𝜆 ≃ 0.56, which is approximately half of the total coupling constant, in agreement with 𝑎𝑏 initio calculations from the literature. As a benchmark, broadband time-resolved optical spectroscopy is performed also on the isostructural and nonsuperconducting compound AlB 2 , showing that the nonequilibrium optical response relaxes on a slower timescale due to the lack of strongly coupled phonon modes. Our findings demonstrate the possibility to resolve and quantify selective electron-phonon coupling from nonequilibrium optical spectroscopy.
Mor, Selene [Università Cattolica del Sacro Cuore,↗
Perspective: Magnon-magnon coupling in hybrid magnonics
The internal coupling of magnetic excitations (magnons) with themselves has created a new research sub-field in hybrid magnonics, i.e., magnon-magnon coupling, which focuses on materials discovery and engineering for probing and controlling magnons in a coherent manner. This is enabled by, one, the abundant mechanisms of introducing magnetic interactions, with examples of exchange coupling, dipolar coupling, Ruderman–Kittel–Kasuya–Yosida (RKKY) coupling, and Dzyaloshinskii–Moriya interaction (DMI) coupling, and two, the vast knowledge of how to control magnon band structure, including field and wavelength dependences of frequencies, for determining the degeneracy of magnon modes with different symmetries. In particular, we discuss how magnon-magnon coupling is implemented in various materials systems, with examples of magnetic bilayers, synthetic antiferromagnets, nanomagnetic arrays, layered van der Waals magnets, and (DMI spin-orbit torque materials) in magnetic multilayers. Here, we then introduce new concept of applications for these hybrid magnonic materials systems, with examples of frequency up/down conversion and magnon-exciton coupling, and discuss what properties are desired for achieving those applications.
Materials science↗
A process-based evaluation of biases in extratropical stratosphere–troposphere coupling in subseasonal forecast systems
Abstract. Two-way coupling between the stratosphere and troposphere is recognized as an important source of subseasonal-to-seasonal (S2S) predictability and can open windows of opportunity for improved forecasts. Model biases can, however, lead to a poor representation of such coupling processes; drifts in a model's circulation related to model biases, resolution, and parameterizations have the potential to feed back on the circulation and affect stratosphere–troposphere coupling. We introduce a set of diagnostics using readily available data that can be used to reveal these biases and then apply these diagnostics to 22 S2S forecast systems. In the Northern Hemisphere, nearly all S2S forecast systems underestimate the strength of the observed upward coupling from the troposphere to the stratosphere, downward coupling within the stratosphere, and the persistence of lower-stratospheric temperature anomalies. While downward coupling from the lower stratosphere to the near surface is well represented in the multi-model ensemble mean, there is substantial intermodel spread likely related to how well each model represents tropospheric stationary waves. In the Southern Hemisphere, the stratospheric vortex is oversensitive to upward-propagating wave flux in the forecast systems. Forecast systems generally overestimate the strength of downward coupling from the lower stratosphere to the troposphere, even as most underestimate the radiative persistence in the lower stratosphere. In both hemispheres, models with higher lids and a better representation of tropospheric quasi-stationary waves generally perform better at simulating these coupling processes.
Garfinkel, Chaim I. (ORCID:000000017258666X)↗
Injection locking and coupling dynamics in superconducting nanowire-based cryogenic oscillators
Oscillators designed to function at cryogenic temperatures play a critical role in superconducting electronics and quantum computing by providing stable, low-noise signals with minimal energy loss. Here, in this work, we present a comprehensive numerical study of injection locking and mutual coupling dynamics in superconducting nanowire (ScNW)-based cryogenic oscillators. Using the design space of a standalone ScNW-based oscillator, we investigate two critical mechanisms that govern frequency synchronization and signal coordination in cryogenic computing architectures: (1) injection locking induced by an external AC signal with a frequency near the oscillator's natural frequency, and (2) the mutual coupling dynamics between two ScNW oscillators under varying coupling strengths. We identify key design parameters—such as shunt resistance, nanowire inductance, and coupling strength—that govern the locking range. Additionally, we examine how the amplitude of the injected signal affects the amplitude of the locked oscillation, offering valuable insights for power-aware oscillator synchronization. Furthermore, we analyze mutual synchronization between coupled ScNW oscillators using capacitive and resistive coupling elements. Our results reveal that the phase difference between oscillators can be controlled by tuning the coupling strength, enabling programmable phase-encoded information processing. These findings could enable building ScNW-based oscillatory neural networks, synchronized cryogenic logic blocks, and on-chip cryogenic resonator arrays.
Artificial neural networks↗
Climatology of Cloud‐Land‐Surface Coupling Across Different ARM Sites
Land-atmosphere interactions play a critical role in the evolution and formation of low-level clouds. The different states of coupling between low-level clouds and the surface are uncertain, primarily over continental regions, where complex thermodynamics complicates their investigation. This study uses observations from the Atmospheric Radiation Measurement User Facility to explore cloud-surface coupling and perform a climatological analysis of this interaction in five countries across three continents. The results reveal consistent coupling thresholds and average percentages across the five sites, with coupled clouds accounting for 66% of the cases and decoupled clouds for 34%. Thermodynamic and dynamic evaluations show distinct differences between coupled and decoupled clouds. Coupled clouds are characterized by humid environments, in which vertical motions connect the surface and lower atmosphere to the cloud base, conditions that favor the formation of boundary layer clouds. Decoupled clouds prefer to occur in a drier and colder environment with vertical motions inside the boundary layer being detached from the cloud base, under which boundary layer clouds are hard to form. Coupled clouds peak during warmer hours and seasons, and vice versa for decoupled clouds. This study underscores the complexity of cloud-land-surface interactions and paves the way for further investigations into cloud formation and evolution under different atmospheric environments.
54 ENVIRONMENTAL SCIENCES↗
Global brain activity and its coupling with cerebrospinal fluid flow is related to tau pathology
Abstract INTRODUCTION Factors responsible for the deposition of pathological tau in the brain are incompletely understood. This study links macroscale tau deposition in the human brain to cerebrospinal fluid (CSF) flow dynamics using resting‐state functional magnetic resonance imaging (rsfMRI). METHODS Low‐frequency (< 0.1 Hz) resting‐state global brain activity is coupled with CSF flow and potentially reflects CSF dynamics‐related clearance. We examined the correlation between rsfMRI measures of CSF inflow and global activity (gBOLD–CSF coupling) as a predictor, interacting with amyloid beta (Aβ), of tau and cortical thickness (dependent variables) across Alzheimer's Disease Neuroimaging Initiative (ADNI) participants from cognitively unimpaired through mild cognitive impairment (MCI) and Alzheimer's disease (AD). RESULTS Tau deposition in Aβ+ participants, accompanied by cortical thinning and cognitive decline, is associated with decreased gBOLD–CSF coupling. Tau mediates the relationship between coupling and thickness. DISCUSSION Findings suggest that resting‐state global brain activity and CSF movements comodulate Alzheimer's tau deposition, presumably related to CSF clearance. Highlights A non‐invasive functional magnetic resonance imaging (fMRI) assessment of a CSF clearance‐related process is carried out. Global brain activity is coupled with CSF inflow in human fMRI during resting state. Global fMRI–CSF coupling is correlated with tau in Alzheimer's disease (AD). This coupling measure is also associated with cortical thickness, mediated by tau.
Neurosciences & Neurology↗
Degenerate coupled-cluster theory
A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.
Hirata, So [University of Illinois at Urbana-Champ↗
Synergies and trade-offs between storage, transmission, and sector coupling in high renewable energy systems
Energy storage, transmission, and sector coupling are some prominent flexibility solutions to support variable renewable energy (VRE) integration. However, investment cost uncertainties and public acceptance could hamper the deployment of these flexibility solutions. This raises questions about the development and cost-effectiveness of future energy systems, especially on how the dependence on local and cross-border solutions of flexibility would evolve if the uptake of these solutions is restricted. In this context, this paper identifies the synergies among flexibility options under restrictions on transmission expansion or increased costs of energy storage. It contributes to determining whether investments in energy storage and/or transmission expansion offer the least-cost transition and investigates the impact of sector coupling on these solutions. A long-term energy system planning and optimisation model towards 2050 is developed using the open-source energy system optimisation tool Balmorel, and a case study of the countries surrounding the Baltic Sea and the North Sea is established. Five cases with restrictions imposed on transmission expansion and higher energy storage technology costs are analysed at different levels of sector coupling. The results highlight the importance of transmission expansion at all levels of sector coupling. As the level of sector coupling increases, uncertainties around the cost of energy storage drive the least-cost pathways. Optimal investment solutions are found to have a mix of transmission and energy storage in capacity expansion at all levels of sector coupling.
24 POWER TRANSMISSION AND DISTRIBUTION↗
DECOVALEX-2023: An international collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems
The DECOVALEX initiative is an international research collaboration (www.decovalex.org), initiated in 1992, for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. DECOVALEX stands for “DEvelopment of COupled Models and VALidation against EXperiments”. The creation of this international initiative was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of the complex perturbations and coupled processes in geologic repositories and how these impact long-term performance predictions. The most recent phase of the DECOVALEX Project, here referred to as DECOVALEX-2023, started in early 2020 and ended in late 2023. More than fifty research teams associated with 17 international DECOVALEX partner organizations participated in the comparative evaluation of eight modeling tasks covering a wide range of spatial and temporal scales, geological formations, and coupled processes. This Virtual Special Issue on DECOVALEX-2023 provides an in-depth overview of these collaborative research efforts and how these have advanced the state-of-the-art of understanding and modeling coupled THMC processes. While primarily focused on radioactive waste, much of the work included here has wider application to many geoengineering topics.
Coupled processes↗