Shear-driven flow is pervasive in manufacturing or melt treatment processes. Intensive shear may affect the local structure, dynamic properties of a liquid metal, and the subsequent nucleation rate. The behavior of shear-driven layer flow, along with the diffusion properties and local structure of liquid Al at 973 K, was investigated using molecular dynamics simulations. Two moving blocks provide a shear on central molten block with moving speeds, v0 = v'0, about 4.1 & times; 10-7, 4.1 & times; 10-6, 4.1 & times; 10-5, 4.1 & times; 10-4, 4.1 & times; 10-3, 0.041, 0.0451, 0.0492, 0.0574, 0.0656, 0.0738, 0.082, 0.164, 0.246, 0.328, and 0.41 & Aring;/ps in opposite direction. When shear speed is equal to or higher than 0.041 & Aring;/ps, shear promotes layer flow along the shear direction, with a gradient velocity distribution. The measured increase of mean square displacement along the shear direction arises from the superposition of flow advection and microscopic thermal motion. The measured diffusion coefficient Dx along shear direction to exhibit the superposition of intrinsic thermal diffusion and convective contributions. Shear leads to kinetic energy and temperature and Dy increasing when shear speed is higher than 0.041 & Aring;/ps under NVE ensemble. Meanwhile, the local structure of the sheared molten Al becomes less ordered, as evidenced by the collapse of 1551 and 1541 Honeycutt and Andersen (H-A) bonding type units. However, shear does not affect atomic diffusion perpendicular to the shear direction, nor does it alter the local structure of the sheared molten Al under NVT ensemble.

With the continuous scaling of advanced semiconductor manufacturing processes, device critical dimensions (CD) are shrinking rapidly and transistor structures are evolving from planar to complex 3D architectures. These trends make critical dimension small-angle X-ray scattering (CD‑SAXS) an indispensable metrology technique for nanostructures. However, conventional CD‑SAXS workflows suffer from two major efficiency bottlenecks: time‑consuming multi‑angle data acquisition and low‑efficiency inverse modeling based on nonlinear fitting. This study aims to overcome these limitations and realize high‑efficiency CD‑SAXS measurement. A dual‑path acceleration strategy is proposed, which integrates a ResNet34‑based deep regression network with Test‑Time Training (TTT). The neural network is pre‑trained on physically simulated scattering data and then fine‑tuned with unlabeled experimental data to reduce the simulation‑to‑reality domain shift and improve generalization. Raw scattering data is converted into a ω‑qxz coordinate format suitable for convolutional neural networks, thereby avoiding the reconstruction of qx‑qz reciprocal space patterns. The TTT mechanism ensures high prediction accuracy under sparse angular sampling. Experimental results demonstrate that the proposed method achieves measurement accuracy comparable to traditional nonlinear fitting methods, while reducing the total time of measurement and data processing by more than 30‑fold. The dual‑path acceleration strategy effectively breaks through the efficiency bottlenecks of conventional CD‑SAXS. It enables accurate nanostructure measurement with greatly reduced data acquisition and processing time, showing strong potential for CD‑SAXS in real‑time, in‑line metrology of complex nanostructures in semiconductor manufacturing.

Optimizing the morphology of the active layer is crucial for achieving high photovoltaic conversion efficiency in all-polymer solar cells (APSCs). Solvent vapor annealing (SVA) is an essential post-treatment strategy for controlling active layer morphology. However, most current SVA are conducted ex situ, limiting their ability to accurately reveal the morphological evolution of active layers of APSCs. In this study, in situ synchrotron radiation GIWAXS and in situ UV-vis spectroscopy combined with GISAXS is used to monitor the morphological evolution of PM6/PY-IT blends during the SVA process in real-time. Results showed that the PY-IT absorption peak exhibited a red shift under a nonpolar carbon disulfide vapor, while a blue shift is observed during the SVA process with a polar chloroform vapor. The SVA process can be divided into three stages: solvent swelling, recrystallization, and molecular rearrangement. For thermally pre-annealed samples subjected to chloroform SVA, the power conversion efficiency (PCE) increased by 15.1%. The improved PCE stems from reduced crystal plane spacing (d-spacing), enhanced crystal coherence length, and optimal phase separation via SVA. Pre-annealing suppresses excessive swelling, emphasizing the reordering dynamical role in the morphology of APSCs. This study offers insights into balancing SVA conditions to maximize performance and minimize adverse effects.

Oxygen nanobubbles (ONBs) have attracted significant attention due to their unique physicochemical properties and potential applications in biomedical, environmental, and energy-related fields. Efficient production of ONBs is the key to further promote their application challenges yet still remains a challenge. In this work, we systematically compared the performance on the stable generation of ONBs between two distinct methods: the conventional electrolysis and a combined sonication-electrolysis approach with a well-designed electrolysis device with separate cathode and anode chambers. Our results demonstrated that electrolysis alone could produce ONBs with a concentration of 2.6 × 107 particles mL-1 and an X50 (the median indicating that particle sizes below this value accounted for 50% of the total number of particles) size of about 80 nm. In contrast, the synergistic integration of ultrasound and electrolysis significantly improved the yield, achieving a higher concentration of 9.6 × 107 particles mL-1, albeit with a slightly larger X50 size of about 115 nm. This work provides a feasible strategy for precisely controlling the size and concentration of ONBs, which is critical for their scalable preparation and further applications.

Understanding the dynamic structural evolution of active sites under operating conditions is crucial for designing high-performance electrocatalysts for the oxygen evolution reaction (OER). In this study, we explore the distinct reconstruction behaviors of two cobalt-based molybdate polymorphs, alpha-CoMoO4 and beta-CoMoO4, with wolframite-type structures. alpha-CoMoO4 undergoes a gradual surface reconstruction, forming amorphous cobalt oxyhydroxide, consistent with the lattice oxygen oxidation mechanism (LOM). In contrast, beta-CoMoO4 rapidly transforms into CoOOH through an acid group dissociation (AGD) mechanism involving the dissociation of MoO4 2- groups. Real-time tracking of the phase transition by cyclic voltammetry (CV) and quick-scanning X-ray absorption fine structure (QXAFS) reveals detailed kinetic insights into these processes. Density functional theory (DFT) calculations attribute the divergent reconstruction pathways to the competition between Co-O and Mo-O bond strengths, with stronger Mo-O bonds facilitating the rapid reconstruction of beta-CoMoO4. Notably, surface-sensitive soft X-ray absorption spectroscopy (sXAS) demonstrates that beta-CoMoO4 forms a higher concentration of mu 2-OH-Co2+/3+ active sites, resulting in its intrinsic activity being 2.1 times that of alpha-CoMoO4. This work underscores the advantages of AGD-driven reconstruction for generating active sites and provides insights into the rational design of efficient OER electrocatalysts.

Pyrolysis-induced single-atom (SA) immobilization is a facile approach for the large-scale synthesis of singleatom materials, which holds promising potential in catalysis. The transition behavior from metal precursor to SA is not yet fully understood. Here, we report that coordinating chloride ligands play a pivotal role in stabilizing Pt/Ir/Ru SA when pyrolyzing their precursors on nanoporous metal oxide (Co3O4, NiO, and Fe2O3). The electrochemical and spectroscopic analysis combined with theoretical calculations suggests a thermal-driven progressive decomposition of metal precursors. Pyrolysis at a critical temperature of 250 degree celsius drives the formation of the Ir-O3 motif between the Ir-based precursor and the supporting Co3O4, whereas three residual chloride ligands remain coordinated on the top and prohibit them from reacting with free Ir-containing species. Ir-SA/Co3O4 with an Ir loading of up to 3 at.% is produced. For electrocatalytic oxygen evolution reaction, it delivers a current density of 10 mA/cm2 at an overpotential of only 220 mV, corresponding to 11-fold higher mass activity over their corresponding nanoclusers/Co3O4. Our work highlights the essential role of ligands in the formation of SA, offering new insights into the thermal stability of SA, as well as a new avenue to increasing the loading of SAs.

The anisotropic cellulose nanofiber (CNF)/carbon nanotube (CNT) aerogels hold a great promise in directional applications due to their distinct xylem-like aligned penetrating pore structures. The aspect ratio of CNF plays a crucial role in the pore structures of aerogels, directly dominating the final macroscopic properties of materials. Herein, three types of CNF with different aspect ratios were extracted through the 2,2,6,6-tetrmethylpiperidine1-oxyl radical (TEMPO) oxidation process by changing the doses of oxidant. The corresponding anisotropic CNF/ CNT aerogels were prepared by the unidirectional freeze-drying method and then their pore morphologies and properties were investigated in detail. The resulting aerogel with the shortest aspect ratio of CNF exhibited the densest porous structure, thereby obtaining the highest compressive strength of 110 kPa and elastic modulus of 383 kPa, while that containing the longest CNF possessed the highest thermal conductivity coefficient of 0.17 W m-1 K-1 and the worst thermal insulation. This research explored the relationship between the properties of the CNF/CNT aerogels and devisable pore structures caused by various aspect ratios of CNF, thus providing a new insight into the development of CNF/CNT aerogels with tunable performances.

Poly (lacticacid) (PLA) fiber-reinforced poly (epsilon-caprolactone) (PCL) composite is used in a broad variety of biocompatible and biodegradable materials, while phase separation remains an obstacle to mechanical perfor-mance. In this work, the PLA fiber-reinforced PCL composite membranes were prepared by multi-spinneret blended electrospinning, followed various synergistic processes of strain and melt-recrystallization. In the composite, the micro-scaled electrospun PLA fibers, which accomplished glass transition and partial crystalli-zation during the annealing processing, profoundly reinforce the PCL matrix. The orientation and crystallinity of PLA fibers as well as the interfacial bond are improved by the manipulations of strain and supercooling during the crystallization of PCL domains in the composite. As a result, the tensile performance of the composite is greatly improved, which exhibits a modulus of 6.146 GPa and strength of 32.85 MPa, respectively, achieving a high level of strength among the PCL/PLA composites. This work offers a new approach to the preparation of PLA fiber-reinforced PCL composites with outstanding tensile performances.

Developing cost-effective, active, and robust oxygen evolution reaction (OER) electrocatalysts in alkaline electrolytes is a critical problem in the efficient conversion of renewable energy resources. Here, 3D bicontinuous Mo-doped nanoporous NiFe oxide nanowires (Ni1.4Fe1.7Mo0.05O4) fabricated by eutectic solidification and two-step dealloying exhibit an efficient electro-catalytic OER performance. The resultant nanoporous catalyst can achieve an exceptional activity with a low overpotential (205 mV at 10 mA cm-2) and a small Tafel slope (51.3 mV dec-1), outperforming most of the NiFe-based benchmarks. X-ray absorption spectroscopy combined with density functional theory calculations reveals that strong coupling between the Mo- Fe(Ni)-O sites and its remarkable lattice contraction facilitate the electron transfer on the tiny ligament surface, where the high-valent Mo sites can absorb H2O molecules and lower the energy barrier of OOH* for adsorption and activation of H2O. Meanwhile, 1-D nanowire and 3-D bicontinuous nanoporous structures together with the optimized atom ratio of Fe and Ni can accelerate electron/ion transport in the OER process, thus further enhancing the OER performance.

The sluggish cathodic kinetics and lower energy efficiency, associated with solid and insulating discharge products of Li2O2, are the key factors that prevent the practical implementation of Li-O-2 batteries (LOBs). Here we demonstrate that the combination of the solid catalyst (RuO2) and soluble redox mediator tetrathiafulvalene (TTF) exhibits a synergetic effect in improving the cathodic kinetics and energy efficiency of LOBs by reducing both charge and discharge overpotentials. Operando electron microscopy observations and electrochemical measurements reveal that RuO2 not only exhibits bifunctional catalysis for Li-O-2 reactions but also benefits the catalytic efficiency of TTF. Meanwhile, TTF plays an important role in activating the Li2O2 passivated RuO2 catalysts and in helping RuO2 effectively oxidize the discharge products during charging. The synergetic effect of solid and liquid catalysts, beyond traditional bifunctional catalysis, obviously increases the cathodic kinetics and round-trip energy efficiency of LOBs.

The solid electrolyte interphase (SEI) spontaneously formed on anode surfaces as a passivation layer plays a critical role in the lithium dissolution and deposition upon discharge/charge in lithium ion batteries and lithium-metal batteries. The formation kinetics and failure of the SEI films are the key factors determining the safety, power capability, and cycle life of lithium ion and lithium-metal batteries. Since SEI films evolve with the volumetric and interfacial changes of anodes, it is technically challenging in experimental study of SEI kinetics. Here operando observations are reported of SEI formation, growth, and failure at a high current density by utilizing a mass-sensitive Cs-corrected scanning transmission electron microscopy. The sub-nano-scale observations reveal a bilayer hybrid structure of SEI films and demonstrate the radical assisted SEI growth after the SEI thickness beyond the electron tunneling regime. The failure of SEI films is associated with rapid dissolution of inorganic layers when they directly contact with the electrolyte in broken SEI films. The initiation of cracks in SEI films is caused by heterogeneous volume changes of the electrodes during delithiation. These microscopic insights have important implications in understanding SEI kinetics and in developing high-performance anodes with the formation of robust SEI films.

RuO2 displays excellent bifunctional catalysis towards the oxygen reduction and evolution reactions of Li-O-2 battery. Nevertheless, how the solid catalyst successively catalyzes solid Li2O2 formation and decomposition, confronting passivation and loss of RuO2/Li2O2 contact, during discharging and charging remains a mystery. Here we report operando observations of RuO2 catalyzed oxygen reduction and evolution reactions of Li2O2 by utilizing a liquid cell scanning transmission electron microscope. Upon discharging, RuO2 obviously accelerates formation of soluble LiO2 intermediates and acts as preferential sites of Li2O2 precipitation. During charging, the catalytic activation of RuO2 takes place at electrolyte-RuO2-Li2O2 triple-phase interfaces. Importantly, RuO2 not only catalyzes the decomposition of directly contacted Li2O2, but also promotes oxidation of soluble LiO2 for rapid dissolution of isolated Li2O2 nanoparticles by a chemical comproportionation reaction. The observation unveils how RuO2 catalyzes the formation and decomposition of Li2O2 during discharging and charging and provides nanoscale insights into cathodic reactions of Li-O-2 batteries with solid catalysts.

Operando scanning transmission electron microscopy observations of cathodic reactions in a liquid-cell Li-O-2 microbattery in the presence of the redox mediator tetrathiafulvalene (TTF) in 1.0 m LiClO4 dissolved dimethyl sulfoxide electrolyte are reported. It is found that the TTF addition does not obviously affect the discharge reaction for the formation of a solid Li2O2 phase. The coarsening of Li2O2 nanoparticles occurs via both conventional Ostwald ripening and nonclassical crystallization by particle attachment. During charging, the oxidation reaction at significantly reduced charge potentials mainly takes place at Li2O2/electrolyte interfaces and has obvious correspondence with the oxidized TTF+ distributions in the electric fields of the charged electrode. This study provides direct evidence that TTF truly plays a role in promoting the decomposition of Li2O2 as a soluble charge-transfer agent between the electrode and the Li2O2.

Operando scanning transmission electron microscopy observations of cathodic reactions in a liquid-cell Li-O2 microbattery in the presence of the redox mediator tetrathiafulvalene (TTF) in 1.0 m LiClO4 dissolved dimethyl sulfoxide electrolyte are reported. It is found that the TTF addition does not obviously affect the discharge reaction for the formation of a solid Li2 O2 phase. The coarsening of Li2 O2 nanoparticles occurs via both conventional Ostwald ripening and nonclassical crystallization by particle attachment. During charging, the oxidation reaction at significantly reduced charge potentials mainly takes place at Li2 O2 /electrolyte interfaces and has obvious correspondence with the oxidized TTF+ distributions in the electric fields of the charged electrode. This study provides direct evidence that TTF truly plays a role in promoting the decomposition of Li2 O2 as a soluble charge-transfer agent between the electrode and the Li2 O2 .