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At least 775 records · Page 43

Harmonically structured ULF pulsations observed by the AMPTE CCE magnetic field experiment

Spectrograms of ULF waves in the 0 to 80 mHz frequency range have been prepared from magnetic field data obtained by the elliptically orbiting AMPTE/CCE satellite (with an apogee of approximately 8.8 earth radii). The most prominent feature of these spectrograms (which cover a full 15.6-h orbit) is the presence of harmonically structured, azimuthally polarized pulsations in the outer magnetosphere during daytime hours. The frequencies of these pulsations decrease with increasing radial distance from the earth, indicating that they represent independent resonances of local magnetic flux tubes. The latitudinal structure of these harmonic pulsations, observed as AMPTE/CCE traveled to + or - 16 deg magnetic latitude, is consistent with accepted field line resonance models.

Engebretson, M. J.↗

First results on nucleon resonance electroexcitation amplitudes from ep → e'π + π – p' cross sections at W = 1.4–1.7 GeV and Q 2 = 2.0–5.0 GeV 2

The electroexcitation amplitudes or $\gamma_vpN^*$ electrocouplings of the $N(1440)1/2^+$, $N(1520)3/2^-$, and $\Delta(1600)3/2^+$ resonances were obtained for the first time from the $ep \to e'\pi^+\pi^-p'$ differential cross sections measured with the CLAS detector at Jefferson Lab within the range of invariant mass $W$ of the final state hadrons from 1.4–1.7~GeV for photon virtualities $Q^2$ from 2.0--5.0~GeV$^2$. A good description of the nine independent one-fold differential $\gamma_v p\to \pi^+\pi^-p'$ cross sections achieved within the data-driven Jefferson Lab-Moscow State University (JM) meson-baryon reaction model in each bin of ($W$,$Q^2$) allows for separation of the resonant and non-resonant contributions. The electrocouplings were determined in the fits of the $\pi^+\pi^-p$ cross sections within three overlapping $W$ intervals with a substantial contribution from each of the three resonances listed above. Consistent results on the electrocouplings extracted from the data in these $W$ intervals provide evidence for their reliable extraction. These studies extend information on the electrocouplings of the $N(1440)1/2^+$ and $N(1520)3/2^-$ available from this channel over a broader range of $Q^2$. The electrocouplings of the $\Delta(1600)3/2^+$, which decays preferentially into $\pi\pi N$ final states, have been determined for the first time. Here, the reliable extraction of the electrocouplings for these states is also supported by the description of the $\pi^+\pi^-p$ differential cross sections with $Q^2$-independent masses and total/partial hadronic decay widths into the $\pi\Delta$ and $\rho p$ final states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nucleon Resonance Electroexcitation Amplitudes and Emergent Hadron Mass

Understanding the strong interaction dynamics that govern the emergence of hadron mass (EHM) represents a challenging open problem in the Standard Model. In this paper we describe new opportunities for gaining insight into EHM from results on nucleon resonance (N*) electroexcitation amplitudes (i.e., γvpN* electrocouplings) in the mass range up to 1.8 GeV for virtual photon four-momentum squared (i.e., photon virtualities Q2) up to 7.5 GeV2 available from exclusive meson electroproduction data acquired during the 6-GeV era of experiments at Jefferson Laboratory (JLab). These results, combined with achievements in the use of continuum Schwinger function methods (CSMs), offer new opportunities for charting the momentum dependence of the dressed quark mass from results on the Q2-evolution of the γvpN* electrocouplings. This mass function is one of the three pillars of EHM and its behavior expresses influences of the other two, viz. the running gluon mass and momentum-dependent effective charge. A successful description of the Δ(1232)3/2+ and N(1440)1/2+ electrocouplings has been achieved using CSMs with, in both cases, common momentum-dependent mass functions for the dressed quarks, for the gluons, and the same momentum-dependent strong coupling. The properties of these functions have been inferred from nonperturbative studies of QCD and confirmed, e.g., in the description of nucleon and pion elastic electromagnetic form factors. Parameter-free CSM predictions for the electrocouplings of the Δ(1600)3/2+ became available in 2019. The experimental results obtained in the first half of 2022 have confirmed the CSM predictions. We also discuss prospects for these studies during the 12-GeV era at JLab using the CLAS12 detector, with experiments that are currently in progress, and canvass the physics motivation for continued studies in this area with a possible increase of the JLab electron beam energy up to 22 GeV. Such an upgrade would finally enable mapping of the dressed quark mass over the full range of distances (i.e., quark momenta) where the dominant part of hadron mass and N* structure emerge in the transition from the strongly coupled to perturbative QCD regimes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Global Plasmaspheric Imaging: A New "Light" Focusing on Familiar Questions

Until recently plasmaspheric physics, for that matter, magnetospheric physics as a whole, has relied primarily on single point in-situ measurement, theory, modeling, and a considerable amount of extrapolation in order to envision the global structure of the plasmasphere. This condition changed with the launch of the IMAGE satellite in March 2000. Using the Extreme Ultraviolet (EUV) imager on WAGE, we can now view the global structure of the plasmasphere bathed in the glow of resonantly scattered 30.4 nm radiation allowing the space physics community to view the dynamics of this global structure as never before. This talk will: (1) define the plasmasphere from the perspective of plasmaspheric physics prior to March 2000; (2) present a review of EUV imaging optics and the IMAGE mission; and focus on efforts to understand an old and familiar feature of plasmaspheric physics, embedded plasmaspheric density troughs, in this new global light with the assistance of forward modeling.

Adrian, M. L.↗

Coexistence of unconventional spin Hall effect and antisymmetric planar Hall effect in IrO 2

Crystal symmetry plays an important role in the Hall effects. Unconventional spin Hall effect (USHE), characterized by Dresselhaus and out-of-plane spins, has been observed in materials with low crystal symmetry. Recently, antisymmetric planar Hall effect (APHE) was discovered in rutile RuO 2 and IrO 2 (101) thin films, which also exhibit low crystal symmetry. In this study, we report the observation of both USHE and APHE in IrO 2 (111) films, using spin-torque ferromagnetic resonance and harmonic Hall measurements, respectively. Notably, the unconventional spin-torque efficiency from Dresselhaus spin was more than double that of a previous report. Additionally, the temperature dependence of APHE suggests that it arises from the Lorentz force, constrained by crystal symmetry. Here, symmetry analysis supports the coexistence of USHE and APHE and demonstrates that both originate from the crystal symmetry of IrO 2 (111), paving the way for a deeper understanding of Hall effects and related physical phenomena.

Crystal structure↗

Exploring the Limits of Dative Boratrane Bonding: Iron as a Strong Lewis Base in Low-Valent Non-Heme Iron-Nitrosyl Complexes

We previously reported the synthesis and preliminary characterization of a unique series of low-spin (ls) {FeNO} 8–10 complexes supported by an ambiphilic trisphosphineborane ligand, [Fe(TPB)(NO)] +/0/– . In this study, we use advanced spectroscopic techniques and density functional theory (DFT) calculations to extract detailed information as to how the bonding changes across the redox series. We find that, in spite of the highly reduced nature of these complexes, they feature an NO + ligand throughout with strong Fe–NO π-backbonding and essentially closed-shell electronic structures of their FeNO units. This is enabled by an Fe–B interaction that is present throughout the series. In particular, the most reduced [Fe(TPB)(NO)] – complex, an example of a ls-{FeNO} 10 species, features a true reverse dative Fe → B bond where the Fe center acts as a strong Lewis-base. Hence, this complex is in fact electronically similar to the ls-{FeNO} 8 system, with two additional electrons “stored” on site in an Fe–B single bond. The outlier in this series is the ls-{FeNO} 9 complex, due to spin polarization (quantified by pulse EPR spectroscopy), which weakens the Fe–NO bond. These data are further contextualized by comparison with a related N 2 complex, [Fe(TPB)(N 2 )] – , which is a key intermediate in Fe(TPB)-catalyzed N 2 fixation. Our present study finds that the Fe → B interaction is key for storing the electrons needed to achieve a highly reduced state in these systems, and highlights the pitfalls associated with using geometric parameters to try to evaluate reverse dative interactions, a finding with broader implications to the study of transition metal complexes with boratrane and related ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modal Analysis and Testing of a Cantilever Beam: Results and Guide

This report discusses modal analysis and testing of a cantilever beam including an introduction to modal testing, simulation, analysis, and a comparison of results. An accompanying presentation can be found from the LLNL CASIS website. Modal testing and analysis are essential for characterizing the response of a structure during vibration environments. Determining natural frequencies and mode shapes helps determine whether resonances will be reached during operations and if so, how the structure will respond and how the response can be tuned. The goal of this work is to convey the basics of modal testing and analysis through a simple project. This can be applied later to more complex, applicable structures. This includes a variety of work including data collection, finite element analysis and data processing. For this project a cantilever beam was chosen because it is a simple, well-characterized structure.

42 ENGINEERING↗

Origin of high optical contrast in zinc-zinc oxide electrodeposits for dynamic windows

The control of solar light and heat emission through windows is an important strategy for increasing the energy efficiency of buildings. Reversible Zn electrodeposition has recently emerged as a promising method for constructing electronically tintable robust dynamic windows. In Zn electrodeposits formed from dimethyl sulfoxide (DMSO) electrolytes during device tinting, we observe extraordinary absorption that is in excess of what is predicted by the Beer-Lambert law for a uniform Zn thin film. Here, the charge required to electroplate these films is abnormally low, significantly less than previously reported dynamic windows based on reversible metal electrodeposition, which facilitates the construction of large-area devices that switch uniformly. Finite-difference time-domain (FDTD) simulations are used to investigate the origin of this enhanced absorption, which arises from plasmonic effects among the Zn nanoparticles and ZnO dendrites in the film. The dielectric ZnO dendrites promote absorption via slit-like Zn-dielectric-Zn structures that from hybrid surface plasmon resonance at metal walls. Through these investigations, we provide design principles to construct low-charge and high-contrast metal and metal oxide-based dynamic windows.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Validation of CFD simulations of the moored DeepCwind offshore wind semisubmersible in irregular waves

This article examines the use of computational fluid dynamics (CFD) simulations to predict the response of a floating wind platform to irregular-wave excitation. This work was conducted as part of the Reproducible CFD Joint Industry Project for Floating Offshore Wind Applications and involved verification across several participants and modeling tools and validation against experiments. The authors pay special attention to the uncertainties in both CFD results and experimental measurements. In this work, we perform detailed comparisons of the incident waves and the motion of a moored structure. The nonlinear, low-frequency resonance motion is of particular interest because it potentially drives the mooring and tower-base loads. The verification and validation study is partially successful in that the CFD simulations capture the low-frequency slow-drift motion well but underpredict the low-frequency pitch resonance. This underprediction can be attributed in part to the CFD incident waves, which showed some discrepancies with the experimental waves, especially around extreme events. The effects of the wave discrepancies are also estimated and investigated using a mid-fidelity OpenFAST model. Overall, the present study increases our confidence in using CFD simulations to predict the global performance of offshore wind platforms in irregular waves and to produce data for the calibration of lower-fidelity models.

17 WIND ENERGY↗

An Aluminum-Based Metal–Organic Cage for Cesium Capture

Metal–organic cages are a class of supramolecular structures that often require the careful selection of organic linkers and metal nodes. Of this class, few examples of metal–organic cages exist where the nodes are composed of main group metals. Herein, we have prepared an aluminum-based metal–organic cage, H 8 [Al 8 (pdc) 8 (OAc) 8 O 4 ] (Al-pdc-AA), using inexpensive and commercially available materials. The cage formation was achieved via solvothermal self-assembly of solvated aluminum and pyridine-dicarboxylic linkers in the presence of a capping agent, acetic acid. The obtained supramolecular structure was characterized by single-crystal X-ray diffraction (SCXRD), thermogravimetric analysis, and NMR spectroscopy. Based on crystal structure and computational analyses, the cage has a 3.7 Å diameter electron-rich cavity suitable for the binding of cations such as cesium (ionic radius of 1.69 Å). Here, the host–guest interactions were probed with 1 H and 133 Cs NMR spectroscopy in DMSO, where at low concentrations, Cs + binds to Al-pdc-AA in a 1:1 ratio. The binding site was identified from the crystal structure of CsH 7 [Al 8 (pdc) 8 (OAc) 8 O 4 ] (Cs + Al-pdc-AA), and a binding affinity of ~10 6 –10 7 M –1 was determined from NMR titration experiments. The Al-pdc-AA showed improved selectivity for cesium binding over alkali metal cations (Cs + > Rb + > K + >> Na + ~ Li + ). Collectively, the study reports a novel aluminum cage that can serve as a promising host for efficient and selective cesium removal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Doubly Stereogenic Sandwich Frameworks: Diastereomeric Metallobiscorroles

A number of Group 6 metallobiscorrole sandwich compounds with square-antiprismatic coordination were separated into diastereomers by means of careful preparative thin-layer chromatography. The diastereomers differ with respect to the relative orientation of the corrole macrocycles, which are rotated approximately ± 45° or ± 135° relative to each other. The most clear-cut results were obtained for two tungsten corroles, W[TBCF 3 PC] 2 {TBCF 3 PC = meso-tris[3,5-bis(trifluoromethyl)phenyl]corrolato} and W[TDOMePC] 2 [TDOMePC = meso-tris(3,5-dimethoxyphenyl)corrolato], for which single-crystal X-ray structures were obtained for the 135° diastereomer; the existence of the 45° diastereomer was inferred by elimination and with support from DFT calculations. For Mo[TBCF 3 PC] 2 and W[TBCF 3 PC] 2 , both diastereomers were also fully characterized spectroscopically and their 1 H NMR spectra were essentially fully assigned. The fact that each diastereomer is chiral and exists as two enantiomers (which was previously demonstrated for the 135° form of a tungsten biscorrole) establishes the doubly stereogenic nature of the metallobiscorrole framework – to our knowledge, the first such demonstration for a sandwich compound.

Aromatic compounds↗

Enhanced Activity from Coordinatively Unsaturated and Dynamic Zeolite-Bound Organoscandium Species

Scandium borohydride grafted into the micropores of the faujasite zeolite HY30 catalyzes the C–H borylation of benzene, whereas silica-grafted species are inactive. This catalytic activity may originate from grafting at a Brønsted acid site leading to a more electron-deficient rare earth center. Herein, we apply multinuclear double-resonance nuclear magnetic resonance (NMR) experiments to probe the structure and dynamics of zeolite- and silica-bound scandium borohydride complexes. The experiments reveal that scandium centers located within the zeolite micropores, in proximity to Al-created Brønsted sites, are more dynamic than rigid scandium sites grafted on silanols. Through a combination of NMR and molecular dynamics simulations, we show that the coordination of the scandium in the zeolite is labile, with the metal exchanging between two binding sites. As a result, the weak electron donation from the support that enables the movement of the Sc center leads to the formation of an undercoordinated metal center that cannot exist on silica, ultimately leading to the new catalytic activity of the species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗