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Abstract Liquid water under nanoscale confinement has attracted intensive attention due to its pivotal role in understanding various phenomena across many scientific fields. MXenes serve an ideal paradigm for investigating the dynamic behaviors of nanoconfined water in a hydrophilic environment. Combining deep neural networks and an active learning scheme, here we elucidate the proton‐driven dynamics of water molecules confined between V2CTxsheets using molecular dynamics simulation. Firstly, we have found that the Eigen and Zundel cations can inhibit water‐induced oxidation by adjusting the orientation of water molecules, thus proposing a general antioxidant strategy. Besides, we also identified a hexagonal ice phase with abnormal bonding rules at room temperature, rather than only at ultralow temperatures as other studies reported, and further captured the proton‐induced water phase transition. This highlighted the importance of protons in the maintaining stable crystal phase and phase transition of water. Furthermore, we discussed the conversions of different water structures and water diffusivity with changing proton concentrations in detail. The results provide useful guidance in practical applications of MXenes including developing antioxidant strategies, identifying novel 2D water phases and optimizing energy storage and conversion.more » « lessFree, publicly-accessible full text available December 16, 2025
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Theoretical insights on potential-dependent oxidation behaviors and antioxidant strategies of MXenesFree, publicly-accessible full text available December 1, 2025
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Abstract MXenes are 2D materials with great potential in various applications. However, the degradation of MXenes in humid environments has become a main obstacle in their practical use. Here we combine deep neural networks and an active learning scheme to develop a neural network potential (NNP) for aqueous MXene systems with ab initio precision but low cost. The oxidation behaviors of super large aqueous MXene systems are investigated systematically at nanosecond timescales for the first time. The oxidation process of MXenes is clearly displayed at the atomic level. Free protons and oxides greatly inhibit subsequent oxidation reactions, leading to the degree of oxidation of MXenes to exponentially decay with time, which is consistent with the oxidation rate of MXenes measured experimentally. Importantly, this computational study represents the first exploration of the kinetic process of oxidation of super‐sized aqueous MXene systems. It opens a promising avenue for the future development of effective protection strategies aimed at controlling the stability of MXenes.more » « less
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Abstract Disturbances in ionospheric Total Electron Content (dTEC) with frequencies of 1–100 mHz can be driven from above by processes in the magnetosphere and below by processes on the Earth's surface and lower atmosphere. Past studies showed the potential of dTEC as a diagnostic of magnetospheric Ultra Low Frequency (ULF) wave activity and demonstrated that ULF dTEC can impact space weather by, for example, changing ionospheric conductance. However, most past work has focused on single event studies, lacked magnetospheric context, or used sampling rates too low to capture most ULF waves. Here, we perform a statistical study using Time History of Events and Macrsoscale Interactions during Substorms (THEMIS) satellite conjunctions with a ground‐based magnetometer and Global Navigation Satellite System (GNSS) receiver at 65° magnetic latitude. We find that magnetospheric ULF waves generate dTEC variations across the broad range of frequencies examined in this study (2–50 mHz), and that ULF dTEC wave power is correlated with Kp, AE, solar wind speed, and magnetic field wave power observed in the magnetosphere and on the ground. We further find that magnetospheric ULF waves generate dTEC amplitudes up to TECU ( background), with the largest amplitudes occurring during geomagnetically active conditions, at frequencies below 7 mHz, and at local times near midnight. We finally discuss the implications of our results for magnetosphere‐ionosphere coupling and remote sensing techniques related to ULF waves.more » « less
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Key Points Validation of ionospheric total electron content (TEC) by the state‐of‐the‐art ionospheric models hosted by NASA Community Coordinated Modeling Center, National Oceanic and Atmospheric Administration Space Weather Prediction Center, and NASA Jet Propulsion Laboratory (JPL) Multiple metrics and skill scores are used to assess the performance of ionospheric models in capturing storm time TEC anomaly GLObal Total Electron Content and JPL Global Ionospheric Map perform best, and physics‐based models perform better than the empirical model in capturing storm TEC variationsmore » « less
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Abstract Sub‐auroral polarization streams (SAPS) are one of the most intense manifestations of magnetosphere‐ionosphere coupling. Magnetospheric energy transport to the ionosphere within SAPS is associated with Poynting flux and the precipitation of thermal energy (0.03–30 keV) plasma sheet particles. However, much less is known about the precipitation of high‐energy (≥50 keV) ions and electrons and their contribution to the low‐altitude SAPS physics. This study examines precipitation within one SAPS event using a combination of equatorial THEMIS and low‐altitude DMSP and ELFIN observations, which, jointly, cover from a few eV up to a few MeV energy range. Observed SAPS are embedding the ion isotropy boundary, which includes strong 300–1,000 keV ion precipitation. SAPS are associated with intense precipitation of relativistic electrons (≤3 MeV), well equatorward of the electron isotropy boundary. Such relativistic electron precipitation is likely due to electron scattering by electromagnetic ion cyclotron waves at the equator.more » « less
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Abstract The extraordinary eruption of the Tonga volcano on 15 January 2022 lofted material to heights exceeding 50 km, marking the highest observed since the satellite era. This eruption caused significant disturbances spanning from the hydrosphere up to the thermosphere. Our recent investigation discovered the dramatic thermospheric responses at satellite altitudes. This study, however, provides physical insights into two main possible processes, secondary gravity waves (GWs) and Lamb waves, which may explain those observed large‐scale thermospheric disturbances. The comparison between the simulations and observations suggests that the MESORAC‐HIAMCM secondary GWs are consistent with GRACE‐FO measured global‐propagation thermospheric density disturbances in timing and amplitude. WACCM‐X simulations suggest that the Lamb wave can reach the thermosphere as a sharp, narrow wave packet, and may contribute about 25% to the total disturbances at 510 km.more » « less
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Abstract Energetic electron precipitation from the equatorial magnetosphere into the atmosphere plays an important role in magnetosphere‐ionosphere coupling: precipitating electrons alter ionospheric properties, whereas ionospheric outflows modify equatorial plasma conditions affecting electromagnetic wave generation and energetic electron scattering. However, ionospheric measurements cannot be directly related to wave and energetic electron properties measured by high‐altitude, near‐equatorial spacecraft, due to large mapping uncertainties. We aim to resolve this by projecting low‐altitude measurements of energetic electron precipitation by ELFIN CubeSats onto total electron content (TEC) maps serving as a proxy for ionospheric density structures. We examine three types of precipitation on the nightside: precipitation of <200 keV electrons in the plasma sheet, bursty precipitation of <500 keV electrons by whistler‐mode waves, and relativistic (>500 keV) electron precipitation by EMIC waves. All three types of precipitation show distinct features in TEC horizontal gradients, and we discuss possible implications of these features.more » « less
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