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Investigating electron transfer behavior under external electric fields in molecular electronics is crucial for understanding the function of each component and for improving molecular design. Notably, the one-electron transfer is inevitable in molecular wires and switches, for which traditional density functional theory (DFT) and long-range corrected self-consistent-charge density functional tight binding (LC-DFTB) meet significant challenges. Inspired by previous studies on constrained configuration interaction schemes, we present restriction-based configuration interaction (RCI) LC-DFTB, a novel extension of LC-DFTB to deliver an accurate description of one-electron transfer under external electric fields. This approach retains the low cost of LC-DFTB while accurately capturing charge-resonance, localization versus delocalization, and field-induced response in large, structurally complex systems. We demonstrate its performance on a benzene assembly and a polyfluorene, showing that RCI-LC-DFTB efficiently describes the effects of molecular conformation and applied bias on electron localization and transfer. Our method thus provides a robust, scalable tool for the design of molecular electronic and organic photovoltaic materials.more » « lessFree, publicly-accessible full text available August 14, 2026
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Abstract The present study investigates mid‐ and low‐latitude ground magnetic disturbances observed following the arrival of three interplanetary (IP) shocks during the super‐geomagnetic storms of February 1958 and July 1959. One may expect that after IP shocks, the H (northward) magnetic component increases globally but especially on the dayside. However, in each event, the H component was depressed sharply for 1–2 hr in the dawn‐to‐noon sector, whereas it increased in other local time (LT) sectors. Observed magnetic deflections suggest that there existed field‐aligned currents (FACs) flowing into and out of the auroral zone around the western and eastern edges of the LT sector of the dayside H depression. These features strongly suggests that the observed H depression was a remote effect of a R1‐sense FAC system. It was previously reported that similar ground magnetic disturbances were observed after the SSC of the 2003 Halloween storm, which reveals striking similarities to the well‐known H depression observed at Colaba during the 1859 Carrington storm. It is therefore suggested that the external driving behind IP shocks, especially those associated with major storms, is most optimum for the sharp reduction of the dayside H component through the formation and intensification of the dayside FAC system. Associated magnetic disturbances are considered to be larger in magnitude with increasing magnetic latitude, and oriented azimuthally as well as meridionally. Such magnetic disturbances in dayside midlatitudes may not be discussed very often as a target of space weather, but their potential impacts on ground infrastructures probably require closer attention.more » « less
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Abstract Dynamic triggering of earthquakes is when seismic waves from earthquakes induce seismic activity at a distance. The observability of the seismic wave stresses and their results presents a unique opportunity to understand earthquake interactions and associated hazard implications. The extent and timing of dynamic triggering at given specific stress changes still remain inadequately predicted due to limited studies and data sets. In particular, the requirement for complete, well‐characterized catalogs to detect triggering systematically seriously limits the types of studies possible. To address this, we utilized 7‐year continuous waveform data from 239 stations in southern California and used PhaseNet for phase picking to identify local earthquakes and measure triggering without constructing any earthquake catalog. We map the triggering intensity over the region and find that overall, the Mojave segment of the San Andreas is the most easily triggered region. However, the spatial pattern changes after the Ridgecrest earthquake and the area appears to become much less prone to triggering, likely due to an exhaustion of the faults near failure in the immediate aftermath of the Ridgecrest sequence. We further observe a slow decay rate of dynamic triggering and conclude that low‐frequency waves (0.04–0.1 Hz) may be more effective in dynamic triggering than high‐frequency waves (1–3 Hz) which is consistent with a rate‐state assisted aseismic creep or hydrological triggering mechanism.more » « less
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Summary Recently formed allopolyploid species offer unprecedented insights into the early stages of polyploid evolution. This review examines seven well‐studied neopolyploids (we use ‘neopolyploid’ to refer to very recently formed polyploids, i.e. during the past 300 years), spanning different angiosperm families, exploring commonalities and differences in their evolutionary trajectories. Each neopolyploid provides a unique case study, demonstrating both shared patterns, such as rapid genomic and phenotypic changes, and unique responses to hybridization and genome doubling. While previous studies of these neopolyploids have improved our understanding of polyploidy, significant knowledge gaps remain, highlighting the need for further research into the varied impacts of whole‐genome duplication on gene expression, epigenetic modifications, and ecological interactions. Notably, all of these neopolyploids have spontaneously arisen due to human activity in natural environments, underscoring the profound consequences of polyploidization in a rapidly changing world. Understanding the immediate effects of polyploidy is crucial not only for evolutionary biology but also for applied practices, as polyploidy can lead to novel traits, as well as stress tolerance and increased crop yields. Future research directions include investigating the genetic and epigenetic mechanisms underlying polyploid evolution, as well as exploring the potential of neopolyploids for crop improvement and environmental adaptation.more » « less
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Abstract Chorus subpackets/subelements are the wave packets occurring at intervals of ∼10–100 msec and are suggested to play a crucial role in the formation of substructures within pulsating aurora. In this study, we investigate the evolution of subpackets from the upstream to downstream regions. Using Van Allen Probe A measurements, we have found that the frequency of the upstream subpackets increases smoothly, but that of the downstream subpackets remains almost unchanged. Through a simulation in the real‐size magnetosphere, we have reproduced the subpackets with characteristics similar to those in observations, and revealed that the frequency chirping is influenced by both resonant current of electrons and wave amplitude due to nonlinear physics. Although the resonant currents in the upstream and downstream regions are comparable, the wave amplitude increases significantly during evolution, resulting in lower sweep rate in the downstream region. Our findings provide a fresh insight into the evolution of chorus subpackets.more » « less
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Abstract The joint influence of the stratospheric quasi‐biennial oscillation (QBO) and the El Niño Southern Oscillation (ENSO) on the polar vortex, subtropical westerly jets (STJs), and wave patterns during boreal winter is investigated in 40 years (1979–2018) of monthly mean ERA‐Interim reanalyses. The method of Wallace et al. (1993),https://doi.org/10.1175/15200469(1993)050<1751:ROTESQ>2.0.CO;2is used to conduct a QBO phase angle sweep. QBO westerly (W) and easterly (E) composites are then segregated by the phase of ENSO. Two pathways are described by which the QBO mean meridional circulation (MMC) influences the northern winter hemisphere. The “stratospheric pathway” modulates stratospheric planetary wave absorption via the Holton‐Tan mechanism. The “tropospheric pathway” modulates the tropical and subtropical upper troposphere and lower stratosphere. QBO MMC anomalies exhibit a checkerboard pattern in temperature and arched structures in zonal wind which extend into midlatitudes, and are stronger on the winter side. During QBO W, the polar vortex and STJs are enhanced. QBO signals in the polar vortex are amplified during La Niña. During El Niño and QBO W, the strongest STJs occur, and a warm pole/wave two pattern is found. During El Niño and QBO E, a trough is found over Eurasia and a ridge over the North Atlantic, in a wave one pattern. El Niño diminishes QBO anomalies in the tropical stratosphere and reduces the poleward extent and amplitude of the QBO MMC, thereby influencing the stratospheric pathway. Effects on the boreal winter hemisphere are attributed to the combined influence of the QBO and ENSO via both pathways.more » « less
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Abstract Ultra‐low‐frequency (ULF) waves are known to radially diffuse hundreds‐keV to few‐MeV electrons in the magnetosphere, as the range of drift frequencies of such electrons overlaps with the frequencies of the waves, leading to resonant interactions. The theoretical framework for this process is described by analytic expressions of the resonant interactions between electrons and toroidal and poloidal ULF wave modes in a background magnetic field. However, most expressions estimate the radial diffusion rates based on estimates of the power of ULF waves that are obtained either from spacecraft close to the equatorial plane or from the ground. In this study, using multiyear measurements from the THEMIS and Arase missions, we present a statistical analysis of the distribution of ULF wave power in magnetic latitude and local time and show that the wave power of the radial and azimuthal components of the magnetic field increases away from the magnetic equator. Our result could have significant implications for the radial diffusion rates as currently estimated.more » « less
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Abstract Near‐equatorial measurements of energetic electron fluxes, in combination with numerical simulation, are widely used for monitoring of the radiation belt dynamics. However, the long orbital periods of near‐equatorial spacecraft constrain the cadence of observations to once per several hours or greater, that is, much longer than the mesoscale injections and rapid local acceleration and losses of energetic electrons of interest. An alternative approach for radiation belt monitoring is to use measurements of low‐altitude spacecraft, which cover, once per hour or faster, the latitudinal range of the entire radiation belt within a few minutes. Such an approach requires, however, a procedure for mapping the flux from low equatorial pitch angles (near the loss cone) as measured at low altitude, to high equatorial pitch angles (far from the loss cone), as necessitated by equatorial flux models. Here we do this using the high energy resolution ELFIN measurements of energetic electrons. Combining those with GPS measurements we develop a model for the electron anisotropy coefficient, , that describes electron flux dependence on equatorial pitch‐angle, , . We then validate this model by comparing its equatorial predictions from ELFIN with in‐situ near‐equatorial measurements from Arase (ERG) in the outer radiation belt.more » « less
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Abstract When a tornado lofts debris to the height of the radar beam, a signature known as the tornadic debris signature (TDS) can sometimes be observed on radar. The TDS is a useful signature for operational forecasters because it can confirm the presence of a tornado and provide information about the amount of damage occurring. Since real-time estimates of tornadic intensity do not have a high degree of accuracy, past studies have hypothesized that the TDS could also be an indicator of the strength of a tornado. However, few studies have related the tornadic wind field to TDS characteristics because of the difficulty of obtaining accurate, three-dimensional wind data in tornadoes from radar data. With this in mind, the goals of this study are twofold: 1) to investigate the relationships between polarimetric characteristics of TDSs and the three-dimensional tornadic winds, and 2) to define relationships between polarimetric radar variables and debris characteristics. Simulations are performed using a dual-polarization radar simulator called SimRadar; large-eddy simulations (LESs) of tornadoes; and a single-volume,-matrix-based emulator. Results show that for all simulated debris types increases in horizontal and vertical wind speeds are related to decreases in correlation coefficient and increases in TDS area and height and that, conversely, decreases in horizontal and vertical wind speeds are related to increases in correlation coefficient and decreases in TDS area and height. However, the range of correlation coefficient values varies with debris type, indicating that TDSs that are composed of similar debris types can appear remarkably different on radar in comparison with a TDS with diverse scatterers. Such findings confirm past observational hypotheses and can aid operational forecasters in tornado detection and potentially the categorization of damage severity using radar data.more » « less
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