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Physical processes involving hot electrons, including their generation, transport, injection, and relaxation, have been an extensive area of research. The most widely utilized method for actuating the creation of hot electrons involves the excitation of plasmonic modes followed by their non-radiative decay, channeling the energy into these energetic carriers. Since plasmonics has already evolved into a mature field of scientific exploration, active plasmonic devices serve as an ideal platform to study hot-electron physics. In this Perspective article, we will provide the reader with a comprehensive outline of the physics underlying hot-electron dynamics. Emphasis will be placed on the characteristic timescales involved with the lifecycle of hot electrons, the generation and decay mechanisms of surface plasmon-induced hot electrons, and the material platforms suitable for such a study. Then, we will move on to discuss different temperature models used to explain the evolution of hot electrons and the changes in the optical properties of the materials they are generated in or injected into. Finally, we will focus on some of the interesting optical phenomena occurring at ultrafast timescales mediated by hot-carrier dynamics. Such a discussion is expected to incorporate valuable insights into our understanding of the synergistic relationship between hot-electron dynamics and active plasmonics, thereby paving the way for novel applications involving optoelectronics and energy conversion. [ABSTRACT FROM AUTHOR]

The generation of acoustic vortex beams has garnered significant research interest in recent years due to their diverse applications, including acoustic communication, particle manipulation, and biomedical ultrasound. However, incorporating more vortices and expanding the capacity of these beams and related devices in three dimensions remain challenging. In this study, we propose a phase-constrained iterative angular spectrum method for fabricating a 3D-printed holographic lens capable of reconstructing multi-vortex acoustic beams within a 3D volume. To evaluate the performance of the proposed lens, we conduct tests using both numerical simulations and practical underwater measurements. Furthermore, we demonstrate the transfer of acoustic angular momentum to two absorbent acoustic objects, achieving rotation of these objects with the performance influenced by vortices at target positions. The results indicate that the proposed method can generate multiple acoustic vortex beams within a 3D volume. This capability enhances the effectiveness and versatility of various applications, such as the manipulation of three-dimensional objects and high-density information transmission. [ABSTRACT FROM AUTHOR]

Very recently, open-cage metallo-azafullerenes PbC100N4H4 and Pb2C100N4H4 containing one Pb–N4–C moiety have been synthesized via the electron beam. Herein, we utilized density functional theory calculations in combination with ab initio molecular dynamics (AIMD) simulations to study the geometric and electronic structures, bonding properties, thermodynamic stability, and catalytic performance of MC100N4H4 and M2C100N4H4 (M = Ge, Sn, Pb). Metal–nitrogen distances and metal–metal distances increase along with the metal radius while the metal atom is positively charged. Energy decomposition analysis revealed that the bonding interactions between M and the C100N4H4 fragment could be described as the donor–acceptor interaction between M(ns0(n−1)d10np4) and C100N4H4 fragment, in which the orbital interactions terms contribute more than the electrostatic interactions. AIMD simulations demonstrate that those metallo-azafullerenes exhibit thermodynamic stability at room temperature. These metallo-azafullerenes, which could serve as typical carbon-supported single-atom catalysts, possess enhanced catalytic performance toward the oxygen reduction reaction (ORR) compared to the planar catalysts, which is attributed to the curvature of metallo-azafullerenes. GeC100N4H4 and SnC100N4H4 exhibit high catalytic performance in the 4e-ORR pathway to H2O, whereas only PbC100N4H4 is suitable for the 2e-ORR reaction pathway because of the difficulty in obtaining electrons. All M2C100N4H4 favors the 4e-reaction pathway due to the presence of the axial metal atom. Our finding of open-cage metallo-azafullerenes as efficient single-atom catalysts holds profound implications for both fundamental research in catalysis and practical applications in fuel cells and other electrochemical devices. [ABSTRACT FROM AUTHOR]

The dynamics of residual stress (RS) within glass-to-metal (GTM) seals play a crucial role in their operational efficacy, with the progression of RS in response to temperature variations being a critical aspect in engineering applications. This research utilizes fiber Bragg grating sensors and temperature-calibrated photoluminescence spectroscopy techniques for the in situ monitoring of RS changes within GTM seals during heating. Initially, the glass body exhibited a compressive stress of −203 MPa, while the stress in the glass close to the interface was −367 MPa at room temperature. With increasing temperature, RS within both the glass body and in the glass close to the interface transitions through three distinct phases: a near-linear decrease, a rapid decrease, and a shift from compressive to tensile stress. By 540 °C, tensile stresses of approximately 11 MPa within the glass body and 36 MPa in the glass close to the interface were observed. The study elucidates that RS evolution is intricately linked not only to the thermal expansion properties of the constituent materials but also to the β-relaxation phenomenon within the glass structure and the presence of an oxide layer at the interface. Finite-element analysis simulations were conducted to corroborate the experimental findings, illustrating a congruent RS evolution pattern and delineating the transition from a compressive to a tensile state. This investigation provides empirical data and analytical insights concerning the management of RS in GTM seals, underscoring the significance of RS control in maintaining seal integrity. [ABSTRACT FROM AUTHOR]

Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements. [ABSTRACT FROM AUTHOR]

The diffusion of cations in organic solvent solutions is important for the performance of metal-ion batteries. In this article, pulsed field gradient nuclear magnetic resonance experiments and fully atomistic molecular dynamic simulations were employed to study the temperature-dependent diffusive behavior of various liquid electrolytes representing 1M propylene carbonate solutions of metal salts with bis(trifluoromethylsulfonyl)imide (TFSI−) or hexafluorophosphate (PF6−) anions commonly used in lithium-ion batteries and beyond. The experimental studies revealed the temperature dependence of the diffusion coefficients for the propylene carbonate (PC) solvent and for the anions following an Arrhenius type of behavior. It was observed that the PC molecules are the faster species. For the monovalent cations (Li+, Na+, K+), the PC solvent diffusion was enhanced as the cation size increased, while for the divalent cations (Mg2+, Ca2+, Sr2+, Ba2+), the opposite trend was observed, i.e., the diffusion coefficients decreased as the cation size increased. The anion diffusion in LiTFSI and NaTFSI solutions was found to be similar, while in electrolytes with divalent cations, a decrease in anion diffusion with increasing cation size was observed. It was shown that non-polarizable charge-scaled force fields could correspond perfectly to the experimental values of the anion and PC solvent diffusion coefficients in salt solutions of both monovalent (Li+, Na+, K+) and divalent (Mg2+, Ca2+, Sr2+, Ba2+) cations at a range of operational temperatures. Finally, after calculating the radial distribution functions between cations, anions, and solvent molecules, the increase in the PC diffusion coefficient established with the increase in cation size for monovalent cations was clearly explained by the large hydration shell of small Li+ cations, due to their strong interaction with the PC solvent. In solutions with larger monovalent cations, such as Na+, and with a smaller solvation shell of PC, the PC diffusion is faster due to more liberated solvent molecules. In the salt solutions with divalent cations, both the anion and the PC diffusion coefficients decreased as the cation size increased due to an enhanced cation–anion coordination, which was accompanied by an increase in the amount of PC in the cation solvation shell due to the presence of anions. [ABSTRACT FROM AUTHOR]

We theoretically study the decoherence of a two-level quantum system coupled to noisy environments exhibiting linear and quadratic fluctuations within the framework of a stochastic Liouville equation. It is shown that the intrinsic energy levels of the quantum system renormalize under either the linear or quadratic influence of the environmental noise. In the case of quadratic dependence, the renormalization of the energy levels of the system emerges even if the environmental noise exhibits stationary statistical properties. This is in contrast to the case under linear influence, where the intrinsic energy levels of the system renormalize only if the environmental noise displays nonstationary statistics. We derive the analytical expressions of the decoherence function in the cases where the fluctuation of the frequency difference depends linearly and quadratically on the nonstationary Ornstein–Uhlenbeck noise (OUN) and random telegraph noise (RTN) processes, respectively. In the case of the linear dependence of the OUN, the environmental nonstationary statistical property can enhance the dynamical decoherence. However, the nonstationary statistics of the environmental noise can suppress the quantum decoherence in this case under the quadratic influence of the OUN. In the presence of the RTN, the quadratic influence of the environmental noise does not give rise to decoherence but only causes a determinate frequency renormalization in dynamical evolution. The environmental nonstationary statistical property can suppress the quantum decoherence of the case under the linear influence of the RTN. [ABSTRACT FROM AUTHOR]

We have used surface plasmon resonant metal gratings to induce and probe the dielectric response (i.e., electro-optic modulation) of ionic liquids (ILs) at electrode interfaces. Here, the cross-plane electric field at the electrode surface modulates the refractive index of the IL due to the Pockels effect. This is observed as a shift in the resonant angle of the grating (i.e., Δϕ), which can be related to the change in the local index of refraction of the electrolyte (i.e., Δnlocal). The reflection modulation of the IL is compared against a polar (D2O) and a non-polar solvent (benzene) to confirm the electro-optic origin of resonance shift. The electrostatic accumulation of ions from the IL induces local index changes to the gratings over the extent of electrical double layer (EDL) thickness. Finite difference time domain simulations are used to relate the observed shifts in the plasmon resonance and change in reflection to the change in the local index of refraction of the electrolyte and the thickness of the EDL. Simultaneously using the wavelength and intensity shift of the resonance enables us to determine both the effective thickness and Δn of the double layer. We believe that this technique can be used more broadly, allowing the dynamics associated with the potential-induced ordering and rearrangement of ionic species in electrode–solution interfaces. [ABSTRACT FROM AUTHOR]

First-principles calculations were employed to investigate the impact of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of Pm 3 ̄ AlM(M = Hf, Zr)H6 at pressures of 0.3–21.2 GPa (AlHfH6) and 4.7–39.5 GPa (AlZrH6) within the stochastic self-consistent harmonic approximation. A correction is predicted for the crystal lattice parameters, phonon spectra, and superconducting critical temperatures, previously estimated without considering ionic fluctuations on the crystal structure and assuming the harmonic approximation for lattice dynamics. The findings suggest that quantum ionic fluctuations have a significant impact on the crystal lattice parameters, phonon spectra, and superconducting critical temperatures. Based on our anharmonic phonon spectra, the structures will be dynamically stable at 0.3 GPa for AlHfH6 and 6.2 GPa for AlZrH6, ∼6 and 7 GPa lower than pressures given by the harmonic approximation, respectively. Due to the anharmonic correction of their frequencies, the electron–phonon coupling constants (λ) are suppressed by 28% at 11 GPa for AlHfH6 and 22% at 30 GPa for AlZrH6, respectively. The decrease in λ causes Tc to be overestimated by ∼12 K at 11 GPa for AlHfH6 and 30 GPa for AlZrH6. Even if the anharmonic and quantum effects are not as strong as those of Pm 3 ̄ n-AlH3, our results also indicate that metal hydrides with hydrogen atoms in interstitial sites are subject to anharmonic effects. Our results will inevitably stimulate future high-pressure experiments on synthesis, structural, and conductivity measurements. [ABSTRACT FROM AUTHOR]

The lithographically tunable and small size features of Lamb wave resonators (LWRs) take a bright future for their use in high frequency narrow band filters. Resonant frequency drift due to temperature variation has a large impact on the narrower passband and a temperature coefficient of frequency (TCF) closer to 0 can broaden the stable temperature range of the resonator. This paper proposes a method of etching grooves in the area of the piezoelectric layer not covered by the Interdigital transducer (IDT) electrodes to improve the temperature stability of the Lamb resonator. Through the finite element method and theoretical analysis, the phase velocity, group velocity, and TCF dispersion curve of different modes of the resonator with groove structure were determined. The reason for the change of TCF under different normalized thicknesses of AlN was explained through the conversion of the LWR from a contour mode resonator (CMR) to a Cross-Sectional Lamé Mode Resonator. Simulation and test have shown that etching grooves have the effect of reducing TCF by adjusting the electromechanical coupling coefficient. The test shows that 205 nm-depth grooves can lower the TCF of the S0 mode IDT-Open LWR from −13.3 to −5.1 ppm/°C and S1 mode from −36.8 to −9.0 ppm/°C, respectively. The TCF of S0 and S1 mode LWRs decreased by 61.7% and 75.5%, respectively, after 205 nm groove etching. The groove etching method greatly raises the temperature stability of the LWR, enabling Lamb wave filters to operate stably over a wider temperature range. [ABSTRACT FROM AUTHOR]

In this work, we present a simple design of a compact and miniaturized wideband bandpass filter (BPF) based on substrate integrated waveguide (SIW) and microstrip line. Through the order extension, the filtering effect and the order of the Chebyshev response of the designed BPF can be indirectly controlled by preserving square notches (SNs) on the SIW. By introducing one or two SNs in the SIW structure, the resonance frequencies of different modes can be controlled, thus achieving dual- and tri-mode BPFs with wideband and low insert loss. The working principle of the designed BPFs was illustrated by modal analysis, field distribution, and equivalent circuit theory. Based on this, the dual- and tri-mode BPFs with center frequencies of 6.8 and 7 GHz were designed and demonstrated numerically. Further experimental results indicate that the proposed tri-mode BPF has low insertion loss (0.25 dB), compact size (0.27λg2), and wideband bandwidth (60%). In addition, the tri-mode BPF achieves a broadband out-of-band rejection of 1.5f0 (f0 is the center resonance frequency) below the −10 dB level, making it highly promising for various applications in related fields. [ABSTRACT FROM AUTHOR]

We investigated the spectrum of density fluctuations of a liquid crystal, CB7CB, in two different orientations by using high-resolution inelastic x-ray scattering. Our analysis, based on Bayesian principles, revealed that high-frequency collective excitations propagate through this mesoscale-ordered sample in a peculiar manner that lies somewhere between those observed in liquids and crystalline systems. Interestingly, when we probed longer length scales, a more pronounced solid-like response emerged. This was mainly characterized by anomalously sharp inelastic excitations and the onset of shear mode propagation. Comparison with previous x-ray diffraction results suggests a correlation between the observed behavior and the mesogen arrangement. [ABSTRACT FROM AUTHOR]

Thin-walled micro-holes are frequently used in aerospace components to achieve specific functions, such as heat dissipation and filtration. However, traditional manufacturing technologies face difficulties in achieving precision machining of these holes due to deformation caused by cutting force or heat. Laser machining is a highly flexible and efficient advanced processing technology that aims to achieve precise machining of thin-walled holes. However, it is important to note that the thermal energy generated by the laser can cause deformation of the thin walls. To address these issues, this paper proposes a process that combines laser and backside electrochemical composite machining. The model for laser electrochemical composite processing after through-hole formation suggests that the laser's temperature rise effect on the electrolyte can significantly enhance the efficiency of electrochemical processing. Furthermore, the laser exerts a micro-zone stirring effect on the electrolyte in the processed micro-zone, which promotes the liquid-phase mass transfer process during the electrochemical reaction. Furthermore, a one-way experiment was conducted to investigate the effects of the main laser parameters on the processing results. The results indicated that higher laser power, as well as lower laser frequency and scanning speed, significantly reduced the edge damage and pore taper of the processed micro-holes. The language used is clear, concise, and objective, adhering to a formal register and avoiding biased or ornamental language. Technical terms are consistently used and explained when first introduced. The text is grammatically correct and free from spelling and punctuation errors. Furthermore, this process has significantly reduced the oxygen content and surface roughness of the sidewalls of the micro-holes. [ABSTRACT FROM AUTHOR]

The preparation of TC4/7075 composites for ultra-thin flyer plates is a significant challenge in the field of explosive welding. A weldability window for multi-layer metal explosive welding and a configuration for ultra-thin flyer plate explosive welding were established in this study. TC4/7075 composite materials were successfully prepared with a flyer plate thickness of only 0.3 mm. An analysis was conducted on the material bonding ability, element diffusion, crystal evolution, and microscopic morphology during the explosive welding process of TC4/7075, utilizing the weldability window, molecular dynamics algorithm, and electron backscattered diffraction testing. The results show that various dislocations are present at the interface, predominantly 1/6 ⟨112⟩ dislocations. Element diffusion primarily occurs during the unloading stage at high temperature and zero external pressure; the interface has the best bonding ability when titanium exhibits FCC lattice structure. The prepared composite material demonstrates high intra-grain and grain boundary stresses; the rolling texture is observed on the aluminum side while an equiaxed twin structure forms on the titanium side due to interactions between stacking faults, Stair-rod dislocations, and Hirth immovable dislocations. [ABSTRACT FROM AUTHOR]

The precise measurement of temperature is crucial in various fields such as biology, medicine, industrial automation, energy management, and daily life applications. While in most scenarios, sensors with a fixed thermal conductivity inevitably mismatch the analogous parameter of the medium being measured, thus causing the distortion and inaccurate detection of original temperature fields. Despite recent efforts on addressing the parameter-mismatch issue, all current solutions are constrained to a fixed working medium, whereas a more universal sensor should function in a variety of scenes. Here, we report a dynamic and reconfigurable thermal sensor capable of highly accurate measurements in diverse working environments. Remarkably, thanks to the highly tunable thermal conductivity of the expanded-plane structure, this sensor works effectively on background mediums with a wide range of conductivity. Such a development greatly enhances the robustness and adaptability of thermal sensors, setting a solid foundation for applications in multi-physical sensing scenarios. [ABSTRACT FROM AUTHOR]

Uniaxial strain has been widely used as a powerful tool for investigating and controlling the properties of quantum materials. However, existing strain techniques have so far mostly been limited to use with bulk crystals. Although recent progress has been made in extending the application of strain to two-dimensional van der Waals (vdW) heterostructures, these techniques have been limited to optical characterization and extremely simple electrical device geometries. Here, we report a piezoelectric-based in situ uniaxial strain technique enabling simultaneous electrical transport and optical spectroscopy characterization of dual-gated vdW heterostructure devices. Critically, our technique remains compatible with vdW heterostructure devices of arbitrary complexity fabricated on conventional silicon/silicon dioxide wafer substrates. We demonstrate a large and continuously tunable strain of up to − 0.15% at millikelvin temperatures, with larger strain values also likely achievable. We quantify the strain transmission from the silicon wafer to the vdW heterostructure, and further demonstrate the ability of strain to modify the electronic properties of twisted bilayer graphene. Our technique provides a highly versatile new method for exploring the effect of uniaxial strain on both the electrical and optical properties of vdW heterostructures and can be easily extended to include additional characterization techniques. [ABSTRACT FROM AUTHOR]

Partially coherent perfect vortex beams with periodic coherence properties, namely, optical coherence perfect vortex lattices (OCPVLs), are proposed in this letter. Rhombus-, spiral-, and circle-shaped OCPVLs were investigated in detail both theoretically and experimentally through the manipulation of the coherent structures. Manipulating the coherence width yielded unique advantages, such as maintaining uniformity over a longer distance, more efficient optical trapping, and high-capacity free-space optical communications. OCPVLs with such advantages hold outstanding potential for applications in multi-particle trapping and manipulation. [ABSTRACT FROM AUTHOR]

Alloying CdTe absorbers with Se is a critical advancement for the fabrication of highly efficient CdTe thin-film solar cells. Herein, the role of the Se concentration gradient in CdSexTe1−x/CdTe solar cells is stressed in addition to the decreased bandgap and passivation effect of Se. The buried graded CdSexTe1−x at the front interface of the device was stripped and analyzed by quasi in situ x-ray photoelectron spectroscopy depth profiling. A serial shift of Fermi level toward the valence band was probed as the Se concentration decreased in the graded CdSexTe1−x absorber, revealing the presence of n-type CdSexTe1−x region near the front contact. Kelvin probe force microscopy characterizations and voltage-dependent photocurrent collection analysis further confirmed the existence of a buried junction in the graded CdSexTe1−x absorber. The CdS-free CdTe solar cell with a graded CdSexTe1−x/CdTe absorber fabricated in this study showed an efficiency of 17.6%. These results indicated that the non-uniform distribution of Se introduced a built-in field in the graded CdSexTe1−x absorber and enabled efficient separation of photogenerated carriers, yielding high-performance CdTe solar cells in the absence of a conventional n-type CdS window layer. This study deepened the understanding of the performance enhancement in Se-containing CdTe solar cells and provided new ideas for further performance optimization. [ABSTRACT FROM AUTHOR]

With large-scale non-equilibrium molecular dynamics simulations and in situ x-ray diffraction analysis, we conducted a systematic investigation into the effects of pre-existing shear strain (γ x y ) on the shock response of single crystal iron. Our findings reveal significant effects of γ x y on the deformation of the crystal structure during shock loading, leading to noticeable alterations in the propagation of shock waves. Specifically, during the elastic stage, the presence of γ x y results in a reduction of shock strength, consequently diminishing the magnitude of elastic lattice strain (ε e ). In the plastic stage, γ x y stimulates the α – ε phase transformation, and structure deformation undergoes a transition from the sequential activity of dislocation-to-transformation to the synchronous activity of dislocation and transformation. This transition inhibits the propagation of plastic waves and consequently broadens the elastic regime. Additionally, the introduction of γ x y activates different slip systems, as it alters the corresponding resolved shear stress. Concurrently, the presence of γ x y triggers the activation of different high-pressure phase variants. Our investigation sheds light on the fundamental physics of iron under shock compression and the influence of pre-existing shear strain on its behavior. [ABSTRACT FROM AUTHOR]

The microstructure morphology, static magnetic properties, and electromagnetic absorption characteristics of nano FexCoNi alloy particles prepared by chemical liquid deposition with five different Fe content levels are investigated in this paper. The results show that spherical FexCoNi alloy particles with an average particle size of about 100–200 nm and a face-centered cubic crystal structure were obtained. All five samples exhibited soft magnetic behavior, with the saturation magnetization intensity showing an increasing-then-decreasing trend with increasing Fe content, peaking at 141.8 emu/g for Fe content x = 1.0. The dielectric constants (real and imaginary parts) of the prepared alloy particles exhibit significant differences with respect to the variation of Fe content, while the changes in the real and imaginary parts of the magnetic permeability show less pronounced effects with increasing Fe content. As the electromagnetic wave frequency increases, the real parts of the dielectric constants for all composites show minimal fluctuations, and the real parts of the magnetic permeability exhibit a decreasing trend. Moreover, the imaginary parts of the dielectric constants and magnetic permeability show an increasing followed by a decreasing trend as the frequency rises. The material with Fe content x = 1 demonstrated optimal dielectric loss performance and relatively excellent magnetic loss performance, with a sample thickness of 1.9 mm exhibiting the highest reflection loss (RLmax) of −24.2 dB and an effective absorption bandwidth of 4.48 GHz. [ABSTRACT FROM AUTHOR]

Tert-butyl functional groups can modulate the self-assembly behavior of organic molecules on surfaces. However, the precise construction of supramolecular architectures through their controlled thermal removal remains a challenge. Herein, we precisely controlled the removal amount of tert-butyl groups in tetraazaperopyrene derivatives by stepwise annealing on Ag(111). The evolution of 4tBu-TAPP supramolecular self-assembly from the grid-like structure composed of 3tBu-TAPP through the honeycomb network formed by 2tBu-TAPP to the one-dimensional chain co-assembled by tBu-TAPP and TAPP was successfully realized. This series of supramolecular nanostructures were directly visualized by high resolution scanning tunneling microscopy. Tip manipulation and density functional theory calculations show that the formation of honeycomb network structure can be attributed to the van der Waals interactions, N–Ag–N coordination bonds, and weak C–H⋯N hydrogen bonds. Further addition of two tert-butyl groups (6tBu-TAPP) leads to a completely different assembly evolution, due to the fact that the additional tert-butyl groups affect the molecular adsorption behavior and ultimately induce desorption. This work can possibly be exploited in constructing stable and long-range ordered nanostructures in surface-assisted systems, which can also promote the development of nanostructures in functional molecular devices. [ABSTRACT FROM AUTHOR]

In this work, charge photogeneration and recombination processes of PM6:IDIC-4F and PM6:IDIC blend films were investigated by the steady-state and time-resolved spectroscopies, as well as the time-dependent density functional theory calculations. The peaks in absorption and photoluminescence (PL) spectra of IDIC and IDIC-4F solutions were assigned by combining the experiment and the simulation of UV–vis absorption and PL spectra. For neat acceptor films, the exciton diffusion length of neat IDIC and IDIC-4F films was estimated as ∼28.9 and ∼19.9 nm, respectively. For PM6-based blend films, we find that the fluorine substitution engineering on the IDIC acceptor material can increase the phase separate size of acceptor material in blend films, resulting in the reduction of dissociation efficiencies of acceptor excitons. In addition, we find that the charge recombination in PM6:IDIC-4F is dominated by bimolecular recombination, in comparison to geminate type carrier recombination in PM6:IDIC blend films. In addition, we find that thermal annealing treatment has a weak influence on carrier recombination but slightly reduces the exciton dissociation efficiency of acceptor in PM6:IDIC blend films, leading to a slightly reduced power conversion efficiency of PM6:IDIC solar cells. These results may shed light on the design of high-performance semiconductor molecules for application in solar cells. [ABSTRACT FROM AUTHOR]

Lithium niobate ( LiNbO 3 , LN) on insulator (LNOI) has emerged as a promising platform for integrated photonics, due to the strong optical confinement and excellent nonlinear optical and electrical characteristics of LN crystal. Focused ion beam (FIB) as a versatile technique has become a typical way to fabricate LNOI microstructures. However, due to the bombardment of Ga + ions during fabrication, the LN lattice is damaged, which would deteriorate the performance of LNOI devices. Thus, the recognition of the damage formed by FIB fabrication is necessary for the control and optimization of the properties of LN microstructures. However, previous studies on this issue have not delved into it from a lattice perspective. Here, we conducted an investigation into the damage inflicted on LN film due to FIB fabrication and the subsequent impact of buffered oxide etching (BOE) treatment on this damage using Raman spectroscopy. Our findings indicate that the interaction between Ga + ions and LN film results in lattice amorphization, as well as a reduction in the ionic bonding and lattice stress within LN. Furthermore, absorption spectra were acquired both before and after BOE treatment, revealing the emergence of additional optical losses attributed to Ga + ions. Notably, these defects responsible for optical losses are predominantly concentrated near the surface of the milled LN film, and BOE treatment proves efficient in their removal. This study contributes to further understanding of the defect structure in LN film after FIB fabrication, as well as repairing the damage and, thus, improving the performance of LN microstructures. [ABSTRACT FROM AUTHOR]

Purcell filters, which serve to suppress electromagnetic radiation and enhance the readout efficiency of qubit, are an indispensable component in superconducting quantum chips. With the increasing scale of quantum chips, the requirements for the performance and scalability of Purcell filters are becoming more stringent. In this report, a novel four-stage Purcell filter that enables fast measurement without exacerbating environmental damping of the qubits is presented. The design approach of the filter is derived from the serial and parallel configurations of λ/4 resonant cavities. The filter exhibits exceptional passband-to-stopband isolation, reaching up to 40 dB of isolation within the transition range of 400 MHz. Furthermore, the filter boasts a wide bandwidth for both the stopband and the passband, with the stopband ranging from 4 to 5.5 GHz and the passband extending from 5.8 to 6.5 GHz. In terms of spatial arrangement, each filter can be connected to over ten readout resonators for qubit readout. This innovative Purcell filter will significantly contribute to the development of high quality, scalable superconducting quantum chips. [ABSTRACT FROM AUTHOR]

Despite the ongoing breakthroughs in power conversion efficiency (PCE) of perovskite solar cells (PSCs), the presence of inherent defects in perovskite films remains the predominant hurdle impeding the further progress of this promising photovoltaic technology. Herein, we propose a straightforward yet highly effective additive strategy to passivate the bulk defects of perovskite films. Specifically, based on the two-step deposition method, a functional polymer poly(2-ethyl-2-oxazoline) (PEOXA) was introduced into the PbI2 precursor solution, facilitating the formation of the PbI2-dimethyl sulfoxide phase. This solvate facilitates subsequent intercalation reactions with organic cations, resulting in the formation of high-quality perovskite films. Additionally, due to its abundant active sites and larger molecular size, PEOXA forms a three-dimensional network structure at the perovskite grain boundaries, effectively connecting the grains and suppressing ion migration. The C = O groups in PEOXA passivate the uncoordinated Pb2+ defects at the grain boundaries, inhibiting non-radiative charge recombination in the bulk. As a result, the device PCE increased from 22.02% to 24.27%. Furthermore, the PEOXA-based PSCs exhibited excellent operational stability, retaining 86% of the initial efficiency after continuous operation for 1500 h. [ABSTRACT FROM AUTHOR]

Efficient absorption of solar radiation holds the key to photothermal utilization; however, realizing solar absorber designs with high absorption efficiency remains challenging. Herein, a nickel-based metamaterial selective solar absorber with a nanopillar array structure was proposed to realize nearly perfect optical absorption over a broad spectrum. The average absorbance is up to 96% in the 300–2033 nm wavelength range. Notably, a reasonably detailed analysis of the physical mechanism of the proposed absorber was performed in this paper, attributing the exceptional broadband absorption to the concurrent interaction with surface plasmon resonance, quarter-wavelength resonance, and electric dipole resonance. The absorption efficiency declines significantly when λ > 2.5 μm, with only 20% absorptivity at λ = 6 μm in the radiation-absorbing transition region. This decline is desirable, as it contributes to reducing the emissivity in the mid-infrared range and, therefore, prevents self-radiation. The results demonstrate that the selective absorber possesses the potential to capture solar energy within a broadband, while avoiding undesirable self-radiation, thereby enhancing the integral efficiency of the solar energy conversion system. Moreover, the absorption spectrum shows insensitivity to polarization and angle of incidence. The selective solar absorber proposed here offers excellent performance with a simple structure, showing great promise in the field of photothermal conversion. [ABSTRACT FROM AUTHOR]

Harnessing the boundless solar energy, photovoltaic cells emerge as pivotal players in the world's sustainable energy landscape. The efficiency of solar cells is intimately tied to the carrier properties influenced by defects and impurities within the sunlight-absorbing semiconductors. In this Perspective, we offer a brief overview of recent advances in exploring doping properties with a focus on three vital thin-film photovoltaic semiconductors: CdTe, CIGS, and halide perovskites. Our discourse encompasses their electronic band structure, intrinsic and extrinsic doping behaviors, defect-assisted nonradiative recombination losses, as well as promising strategies poised to enhance solar cell efficiency. Additionally, we discuss several lingering challenges associated with defects in the advancement of photovoltaic technologies. [ABSTRACT FROM AUTHOR]

Photonic spin–orbit (SO) coupling is an important physical mechanism leading to numerous interesting phenomena in the systems of microcavity photons and exciton-polaritons. We report the effect of SO coupling in a tunable open-access microcavity embedded with anisotropic active media. The SO coupling associated with the TE–TM splitting results in an emergent anisotropy, which further leads to fine energy splittings allowing clear observation of the full set of eigenstates, in sharp contrast with the isotropic situation which leads to the isotropic eigenstates of spin vortices. We show that the photonic potential can be engineered by playing with the relation between the emergent anisotropy and the cavity ellipticity. All the experimental results are well reproduced by the degenerate perturbation theory. Our results constitute a significant extension to the research field of microcavity spinoptronics, with potential applications in polarization control and optical property measurement of photonic devices and materials. [ABSTRACT FROM AUTHOR]

Accurate rotation of microparticles is of great significance in micro-rotors, multi-angle microscopic observation, microbial three-dimensional phenotyping, and microsystem assembly. However, most methods can only rotate a single object, thus limiting the throughput. In this study, we realized the simultaneous rotation of many trapped and aligned subwavelength glass cylinders inside an evanescent wave field excited by a resonant phononic crystal plate. The unique feature of the rotation lies in its periodic distribution as well as the rotation axis being perpendicular to the acoustic axis. The rotary power originates from viscous torque generated by the evanescent wave-induced near-boundary acoustic streaming's asymmetry distribution on the trapped cylinder. Furthermore, the three-dimensional topographies of rotated cylinders can be reconstructed from the microscopic images under different rotating angles. Our findings can pave the way toward developing simple, disposable, and scalable microfluidic devices for massive subwavelength acoustic rotation by carefully designing acoustic metamaterials. [ABSTRACT FROM AUTHOR]

Selective activation of the C–H bond of aromatic hydrocarbons is significant in synthetic chemistry. However, achieving oriented C–H activation remains challenging due to the poor selectivity of aromatic C–H bonds. Herein, we successfully constructed alternately arranged Au–C4 and Au–O4 organometallic coordination networks through selective aromatic C–H bond activation on Au(111) substrate. The stepwise reaction process of the 5, 12-dibromopyrene 3,4,9, 10-tetracarboxylic dianhydride precursor is monitored by high-resolution scanning tunneling microscopy. Our results show that the gold atoms in C–Au–C organometallic chains play a crucial role in promoting the selective ortho C–H bonds activation and forming Au–C4 coordination structure, which is further demonstrated by a comparative experiment of PTCDA precursor on Au(111). Furthermore, our experiment of 2Br-PTCDA precursor on Cu(111) substrate confirms that copper atoms in C–Cu–C organometallic chains can also assist the formation of Cu–C4 coordination structure. Our results reveal the vital effect of organometallic coordination on selective C–H bond activation of reactants, which holds promising implications for controllable on-surface synthesis. [ABSTRACT FROM AUTHOR]

Machine learning (ML) is effective to establish the complicated trilateral relationship among structures, properties, and photovoltaic performance, which is fundamental issue in developing novel materials for improving power conversion efficiency (PCE) of organic solar cells (OSCs). Herein, we constructed the database of 397 donor–acceptor pairs of OSCs with photovoltaic parameters and descriptor sets, which include donor–acceptor weight ratio within the active layer of the OSCs, root mean square of roughness, and 1024-bit Morgan molecular fingerprint for donor (Fp-D) and acceptor (Fp-A). The ML models random forest (RF), adaptive boosting (AdaBoost), extra trees regression, and gradient boosting regression trees were trained based on the descriptor set. The metrics determination coefficient (R2), Pearson correlation coefficient (r), root mean square error, and mean absolute error were selected to evaluate ML model performances. The results showed that the RF model exhibits the highest accuracy and stability for PCE prediction among these four ML models. Moreover, based on the decomposition of non-fullerene acceptors L8-BO, BTP-ec9, AQx-2, and IEICO, 20 acceptor molecules with symmetric A–D–A and A–π–D–π–A architectures were designed. The photovoltaic parameters of the designed acceptors were predicted using the trained RF model, and the virtual screening of designed acceptors was conducted based on the predicted PCE. The results indicate that six designed acceptors can reach the predicted PCE higher than 12% when P3HT was adopted as a donor. While PM6 was applied as a donor, five designed acceptors can achieve the predicted PCE higher than 16%. [ABSTRACT FROM AUTHOR]

In the pursuit of developing high-performance low-dimensional spintronic devices, two-dimensional van der Waals heterostructures comprising non-magnetic nitride and ferromagnetic materials have emerged as a crucial area of investigation. This paper proposes a novel structure that employs hexagonal two-dimensional semiconductor GaN flanked by two half-metallic two-dimensional CrN layers. The stability of the proposed structure is verified via first-principles calculations, which indicate good thermodynamic and magnetic stability. The transport characteristics of electrons in the structure are analyzed through the Band structures and density of states. Specifically, the study examines the spin polarizability of parallel and anti-parallel magnetic configurations of the CrN/GaN/CrN vdW heterostructure, and the results demonstrate a significant spin valve effect. Overall, the study establishes the potential of the CrN/GaN/CrN vdW heterostructure as a candidate for the development of innovative spintronic devices. [ABSTRACT FROM AUTHOR]

Tetragonal ZrO2 high-k material as the dielectric layer of dynamic random access memory (DRAM) capacitors faces bulk defect related leakage current, which is one of the main obstacles to the down-scaling of DRAM devices. Boron and hydrogen impurities are known to be responsible for leakage current degradation and are hard to be removed in DRAM capacitors. However, the defect origins of boron and hydrogen leakage current are still puzzling, and corresponding suppression methods are urged. In this work, the properties of boron and hydrogen impurities in tetragonal ZrO2 are investigated using first-principles calculations, and defect types such as boron and hydrogen interstitials are discovered to have detrimental defect levels related to leakage current. Based on the discovery, a chlorine co-doping approach that can passivate detrimental defects by forming defect complexes is further proposed. By introducing level repulsion due to coupling between defect states, defect levels of passivated defect complexes are moved out of the region of leakage current contribution. Thus, bulk defect related leakage current in tetragonal ZrO2 based DRAM capacitors can be effectively suppressed without device structure modification, and a broad vista is opened for next-generation DRAM devices. [ABSTRACT FROM AUTHOR]

In this study, the dynamic behavior of shear-thinning droplets impacting on a hydrophobic spherical surface is numerically investigated using the volume of fluid method coupled with dynamic contact angle and a power-law model. The differences in dynamic behaviors between shear-thinning and Newtonian droplets are first studied. By analyzing the distribution of pressure and shear rate inside the droplet, it is found that the shear-thinning behavior of the droplets leads to an uneven distribution of apparent viscosity upon impact, which in turn prevents droplet rebound. The effects of various impacting conditions, such as apparent viscosity, impact velocity, surface tension and dynamic contact angle, on the spreading factor and liquid film thickness of shear-thinning droplets are investigated. According to the behaviors of droplets, the impacting process can be divided into three phases: (I) initial deformation, (II) inertia-dominated, and (III) viscosity-dominated phases. In order to reveal the physical mechanisms that prevent shear-thinning droplets from rebounding on the hydrophobic particle surface, the conversion of kinetic energy, viscous dissipation, surface energy, and potential energy during the three phases of the impact process is also analyzed in detail. [ABSTRACT FROM AUTHOR]

Two-dimensional electron gas is precisely confined at the interface of insulating oxide thin films and substrates, e.g., LaAlO3/SrTiO3(STO) and, thus, shows 2D electronic transport features. Here, we report a high mobility electron state at the interface of a Cr2O3 film and a STO substrate, which is realized by depositing a Cr film onto a STO (111) substrate in high vacuum (1 × 10−10 mbar) using molecular beam epitaxy. At a substrate temperature of 700 °C, the deposited Cr films capture oxygen atoms from STO substrates, resulting in the formation of an insulating Cr2O3 layer and an oxygen-deficient STO layer. Due to the presence of high mobility electrons [1.5 × 104 cm2V−1 s−1 at 1.8 K] at the Cr2O3/STO interface, both out-of-plane and in-plane Shubnikov–de Haas oscillations are observed at low temperatures (<3 K), which suggests that the highly conducting electron gas has extended into the STO bulk along the thickness direction with a certain depth to allow electrons to complete the cyclotron motion. [ABSTRACT FROM AUTHOR]

Pre-tightening torque has a significant impact on the performance of a bolt-clamped high-frequency piezoelectric ultrasonic transducer widely used in wire bonding. To develop a vibratory response-based method for the determination of optimal pre-tightening torque, the vibration amplitude signals of the transducer under different excitation conditions were monitored, and the characteristic parameters of the response, involving the resonance frequency, settling time within the initial transient response, and vibration amplitude of the steady-state stage, were extracted. Based on a series of in-depth tests, analyses, and discussions, the influences that the pre-tightening torque has on the vibratory response properties were investigated. Then, the experimental measurement and the random forest method were combined to determine the optimal pre-tightening torque. The performance test results show that the developed method can give the optimal pre-tightening torque according to the desired vibrational response properties, and it is feasible, effective, and reliable as well as improves the adaptability and flexibility of the high-frequency ultrasonic transducer in the application. [ABSTRACT FROM AUTHOR]

Organic/inorganic thermoelectric hybrids demonstrate great potential for wearable applications. However, their scalability is hindered by an inferior power factor (S 2 σ). Nowadays, achieving deep optimization of S 2 σ necessitates a strategy to decouple the Seebeck coefficient (S) and electrical conductivity (σ). In this work, we propose a strategy to break the coupling between S and σ by constructing a Schottky interface that exhibits an energy-filtering effect. We validate the feasibility of this approach using a PANI/TiN–TiO2/carbon paper. The results demonstrate a 1.16-fold increase in σ and a 1.08-fold increase in S in PANI/TiN–TiO2/carbon paper achieved through the construction of a Schottky-type TiN/TiO2 interface. The separation of hole/electron at the TiN/TiO2 interface serves as the scattering center for ionized impurity scattering and facilitates the transport pathway for charge carriers. These factors are crucial in determining the simultaneous optimization of S and σ , respectively. Additionally, the energy-filtering effect of the TiN/TiO2 interface plays a positive role in the ionized impurity scattering mechanism by selectively filtering out low-energy carriers. This further strengthens decoupling of the thermoelectric properties. The 14.9% PANI/11.2% TiN–14.5% TiO2/59.44% carbon paper displays the highest S 2 σ and achieves a high ZT value of 223.6 μVm−1 K−2 and 0.31 at 300 K, highlighting the advantages of PANI-based thermoelectric hybrids. This work provides valuable guidance for the design of thermoelectric hybrids incorporating multi-interface morphology. [ABSTRACT FROM AUTHOR]

Polarization detection plays a significant role in optics. However, the current detection methods usually involve mechanically rotating components, multiple measurement steps, complicated optical design, and precise microfabrication process. To address this issue, we propose a single-shot method to detect the polarization state of light based on a highly scattering system, which is constituted by a spatial light modulator and a highly scattering medium. When the incident light beam shaped by a superimposed wavefront is incident on a highly scattering medium, the foci represented the six components at horizontal, vertical, diagonal, antidiagonal, right circularly polarized, and left circularly polarized directions will appear behind the highly scattering medium simultaneously. By measuring the intensities of these six foci, all the Stokes parameters can be extracted. Taking advantage of the measured Stokes parameters, the orientation angle of major axis, the ellipticity, and the handedness of the polarization ellipse of incident light beam can be determined. Various light beams with different polarization states are detected to demonstrate the viability of the method. The experimental results and theoretical values are in a good agreement. Compared to the existing methods, this approach is fast, free of complicated fabrication, and independent of mechanical movement. The proposed method is expected to promote the development of real-time and broadband polarimetry. [ABSTRACT FROM AUTHOR]

The interfacial Dzyaloshinskii–Moriya interaction (DMI) acting as an essential source to stabilize spin textures in ferromagnetic ultrathin films has revealed its significant role in spin–orbit torque (SOT)-driven magnetic switching. Based on a convincing homochiral Néel domain wall model, the in-plane (IP) magnetic field associated with the DMI effect has been confirmed as an essential prerequisite for deterministic SOT-driven switching. Although the presence of the IP field is required, the impact of IP field magnitude combined with the DMI effect on SOT-driven switching in different heavy metals (HMs) has never been considered together. In this research, SOT-induced switching under various IP fields in Pt, W, or Ta/CoFeB/MgO systems has been studied. The results show that the critical threshold current IC is almost independent of the IP field in the Pt-based structure; however, it significantly decreases with an increase in the IP field in the W- and Ta-based systems. Combining the derived DMI field and the magnetic domain nucleation, it is concluded that the significant difference in DMI fields and the domains' nucleating positions are the main reasons for the above phenomenon. Exploiting the distinct dependent properties of IC on the IP field, a six resistance state multilevel storage and five programmable spin logic gates are proposed and realized. This study provides insight into the special ability of the SOT effect modulated by the DMI, and also expands an effective way to construct spin-based devices based on this unique spintronic effect. [ABSTRACT FROM AUTHOR]

Ferroelectric HfO2-based thin films have attracted increasing interest due to their potential applications in nonvolatile memory areas. However, their unique properties, such as imprint, lead to serious reliability issues. In this study, the origin of imprint behavior is investigated by using TiN/Hf0.5Zr0.5O2 (10 nm)/TiN MFM capacitors. By modulating the internal electric field during imprint, we discover that charge injection/de-trapping in metal–ferroelectric interfaces plays an essential role in imprint behavior rather than charge movement inside the FE layer. The asymmetric shift of the coercive field is also discussed, which is attributed to nonlinear interaction between polarization's bound charges and the electrode's screening charges. This suggests that controlling interface quality should effectively suppress imprint in HfO2-based thin films. [ABSTRACT FROM AUTHOR]

Combining the superior thermal conductivity of graphene and the outstanding heat storage of paraffin, micro-nanocavity graphene/paraffin nanocomposites (MNGPNs) have recently served as promising thermal management materials in high-power microelectronic devices. However, current evaluations of the thermal management performances of MNGPNs are restricted in the lab condition, deviating from the complex mechanical–thermal coupling environment in practical scenarios. Here, we have investigated the structural and thermal management properties of MNGPNs with varying mechanical loads by in situ electron microscopy and in situ thermal characterizations. Our results reveal distinct mechanical–thermal coupling effects along in-plane and out-of-plane directions of MNGPNs. Specifically, mechanical loading reduces the porosity and enhances the heat transfer capacity of MNGPNs in the out-of-plane direction, while mechanical loading along the in-plane direction causes local damage to the graphene structure and weakens the heat transfer capacity of MNGPNs. Since the heat management performance of MNGPNs is dominated by the in-plane thermal transport, MNGPNs with mechanical loading show a delayed phase transition response time and unchanged phase transition enthalpy. This work provides in situ mechanical guidance for the practical application of MNGPNs for heat management. [ABSTRACT FROM AUTHOR]

A shock-tube facility capable of generating a planar shock with the Mach number higher than 3.0 is developed for studying Richtmyer–Meshkov instability induced by a strong shock wave (referred to as strong-shock RMI). Shock enhancement is realized through the convergence of shock within a channel with the profile determined by using shock dynamics theory. The facility is designed considering the repeatability of shock generation, transition of shock profile, and effects of viscosity and flow choking. By measuring the dynamic pressure of the tube flow using pressure sensors and capturing the shock movement through the high-speed shadowing technique, the reliability and repeatability of the shock tube for generating a strong planar shock are first verified. Particular emphasis is then placed on the ability of the facility to study strong-shock RMI, for which a thin polyester film is adopted to form the initial interface separating gases of different densities. The results indicate that the shock tube is reliable for conducting strong-shock RMI experiments. [ABSTRACT FROM AUTHOR]

Considering the influence of motor shaft torsional damping, the torsional dynamics equations of a permanent magnet semi-direct drive rotor system in an aerial passenger device are derived. The derivation relies on the coupling between the mathematical model and the gear dynamics model of the permanent magnet motor, and the Lagrange–Maxwell equations are used for streamlined analysis. To protect the motor under extreme working conditions, the influence of supercritical Hopf bifurcation caused by different torsional dampings of the motor shaft on the torsional vibration of the motor rotor is investigated. Based on the Hurwitz criterion, the influence of the linear control gain and nonlinear gain of the washout filter on the system bifurcation point and the limit cycle amplitude of the system is analyzed. Then, from the perspective of the system instability and oscillation caused by friction damping change of the drive motor and the complex electromechanical coupling behavior in the permanent magnet semi-direct drive cutting drive system of the aerial passenger device, the system stability domain is defined. The results can be applied to effectively suppress the torsional vibration of the shaft system in the permanent magnet semi-direct drive system of the aerial passenger device, providing a theoretical guidance for stable operation of the system. [ABSTRACT FROM AUTHOR]

Water droplets of varying volumes exhibit distinct behaviors at the tip of a needle under the influence of gravitational force: larger droplets fall from the needle tip, while smaller droplets adhere to the needle tip. By integrating a superhydrophobic hole, which allows the needle to pass through but hinders droplets' passage, a method to allow smaller droplets to fall from the needle was evaluated. The interaction between water droplets and a superhydrophobic hole was studied experimentally, and two phenomena were observed: either the droplet detached from the needle tip or the needle pulled it through the superhydrophobic hole. A critical detachment volume V cri d 0 , D , dependent on the needle diameter d 0 and the superhydrophobic hole diameter D , determines droplet behavior. When the volume of the droplet V droplet > V cri d 0 , D , the droplet detaches from the needle tip. When the V droplet < V cri d 0 , D , the droplet penetrates through the superhydrophobic hole. The results show that the critical detachment volume V cri d 0 , D increases with an increase in d 0 for a given superhydrophobic hole and with an increase in D for a given needle. To enable a 0.25 μl droplet to fall from a 32G needle, a superhydrophobic hole of 0.48 mm diameter was employed. Furthermore, a mechanical model based on force equilibrium was developed to describe the interaction between water droplets and a superhydrophobic hole. [ABSTRACT FROM AUTHOR]

Flows of solid particles in suspension are ubiquitous in both nature and industry. Compared to a spherical particle, the dynamics of a non-spherical particle in flow is much less understood, especially its interaction with a micro-confined environment. We consider an elliptical particle because its different aspect ratios can represent a large family of non-spherical shapes. To capture the complex dynamic interface between the particle and the flow, we employ the smoothed particle hydrodynamics method and benefit from its Lagrangian property. In particular, we consider an elliptical cylinder in confined Poiseuille flow and systematically study the effects of five factors: the confinement strengths, the particle Reynolds numbers between 0.1 and 10, particle initial positions/orientations, and the particle aspect ratios, respectively. We identify three types of periodic motion at steady state and they are tumbling, oscillation with either major or mini axis along the flow. In weakly confined channels, the particle always tumbles and has determined focusing positions off the centerlines, which depend mainly on the competition between the shear gradient lift and wall-induced force in the transverse direction. In strongly confined channels, the particle has steady oscillations at the centerlines, and its actual state depends on the Reynolds number, initial states, and aspect ratios of the particle. Our study provides a valuable insight into the dynamics of non-spherical particles in microfluidic systems. [ABSTRACT FROM AUTHOR]

Weakly compressible smoothed particle hydrodynamics (SPH) is known to suffer from numerical pressure noise, posing challenges to simulation stability and accuracy. To address this, the present study introduces a novel density dissipation scheme aimed at suppressing such unphysical noise. The proposed solution overcomes the limitation of traditional density dissipation schemes being ineffective at fluid interfaces in multiphase flow simulations. The novel scheme is generally applicable to the entire computational domain, encompassing both single-phase flow and multiphase flow. This advancement is achieved through two key components. First, the traditional density dissipation is replaced with a density increment dissipation approach that enables dissipation to cross interfaces separating different fluids. Second, based on dissipation volume conservation, a dissipation volume correction factor is employed to stabilize simulations characterized by large density ratios. The accuracy, stability, and robustness of our method are demonstrated through direct comparisons with experimental data or numerical results in four three-dimensional benchmarks: sloshing under external excitations, the rising of single and double bubbles, Rayleigh–Taylor instability, and Kelvin–Helmholtz instability. Additionally, our study reveals the relationship between SPH utilizing density dissipation and the approximate Riemann solver. [ABSTRACT FROM AUTHOR]

The stability of the immersed boundary (IB) method is a challenge in simulating fluid–structure interaction problems, where time step constraints are significantly stricter than in pure fluid simulations. We propose a novel unconditionally stable scheme for the immersed boundary finite element (IBFE) method. The structure is handled implicitly and characterized by strain energy functions, rather than being modeled as fibers or membranes. Through energy estimate, we prove the unconditional stability of the fully discrete approximation in the absence of the convective term. In real simulations of cardiac mechanics problems, the time step is much larger, only limited by the Courant–Friedrichs–Lewy condition of the fluid. The novelty of this work lies in the combination of dual interpolation and distribution operators, the Jacobian-free Newton–Krylov method for solving nonlinear algebraic systems, and the semi-Lagrangian method for handling the convective term. To validate the effectiveness and accuracy of our approach, we present various benchmarks and conduct a quasi-static simulation of a three-dimensional real left ventricular model. We have shown that the numerical stability of our scheme is very robust even with much larger time step compared to conventional explicit IB methods. Our work paves the way for further works on efficient solvers of the IBFE method. [ABSTRACT FROM AUTHOR]

This paper studies the characteristics of internal waves induced by the motion of a submerged body through a combination of experimental and numerical methods. First, by deploying an array of conductivity probes in an experiment, the temporal evolution of the internal wave at the plane of the conductivity probe array is obtained and compared with numerical simulation results based on the Navier–Stokes equations, thereby validating the accuracy of the Computational Fluid Dynamics (CFD) model. Subsequently, utilizing CFD calculations, further exploration is conducted on the spatiotemporal distribution characteristics of the internal wave, encompassing its generation and evolution, velocity field distribution, wake angle, and wave profile features. Finally, the variation of the internal wave with the Froude number (Fr) is investigated, revealing that it varies apparently with Fr, including the wave component, wave mode, wake length, wake angle, wave amplitude, and so on. It is found that when Fr is large, the internal wave converges toward the centerline behind the body, until forming a line. The wave magnitude changes with Fr in four stages, i.e., increasing with Fr from zero in the first stage, reaching a peak and decreasing thereafter in the second stage, then changing little in the third stage, and finally increasing approximately linearly in the fourth stage. [ABSTRACT FROM AUTHOR]

The confluence area serves as the pivotal control unit in natural rivers, and the implementation of spur dikes at the confluence enables regulation of flow patterns, influences pollutant mixing, and safeguards against river scouring. This study establishes a three-dimensional hydrodynamic model for the 90° confluence with dikes, aiming to explore the impact of the number, angle, and spacing of the dikes on hydrodynamic characteristics at 90° confluence. The results show that (i) the closer the spacing between the dikes, the wider the range of low water level area upstream becomes. An increased number of dikes makes it easier for the downstream water level to recover. (ii) The area of the high turbulent kinetic energy region increases with the increase in the number of dikes. Among the three angle deployments, the dike deployment angle of 60° corresponds to the largest area of high turbulent kinetic energy. When the spacing between dikes is 0.225 m, it results in the largest area of high turbulent kinetic energy. (iii) The number or spacing of dikes exhibits a negative correlation with the shape parameters of the separation and backflow behind the dikes, whereas there is a positive correlation between the angle of dikes and these shape parameters. (iv) Influenced by the deployment of dikes, novel helical flows will be generated around the dikes at the confluence. The helicity of the clockwise helical flow is comparatively smaller than that of its counterclockwise counterpart. Subsequently, newly generated helical flows undergo fusion and division as it progresses downstream. [ABSTRACT FROM AUTHOR]

The numerical simulation of urban wind environments faces difficulties in capturing the turbulent characteristics due to the large computational domain. Traditional Reynolds-averaged methods (RANS) can effectively capture the average wind characteristics of urban areas. However, due to the significant dissipation and attenuation of turbulent energy in the downstream direction, this method fails to provide accurate turbulent characteristics after time-averaging processing. Therefore, in order to obtain a higher-precision turbulent wind field distribution within urban areas, this paper proposed a new numerical method named an equilibrium atmospheric boundary layer model (EABL) by modifying the control equation of the shear stress transport k–ω model. During the process, the equilibrium atmospheric boundary layer was achieved successfully, and the attenuation problem of the turbulent kinetic energy and dissipation rate during the computational fluid dynamics numerical simulation was resolved. Simultaneously, a wind tunnel experiment and six turbulence models [standard k–ε, realizable k–ε, renormalization group k–ε, large eddy simulation—narrowband synthesis random flow generator (LES-NSRFG) and LES vortex method and EABL] were employed to simulate the wind field characteristics in an actual residential area. The simulation results demonstrate that, relative to traditional RANS models, the EABL model enhances the simulation accuracy of turbulence characteristics by over two times. Furthermore, compared to LES models, the EABL model can reduce computational time by threefold. [ABSTRACT FROM AUTHOR]