Search Results (13,022)

In this work, a comprehensive theoretical investigation is carried out to explore the electronic and spectroscopic properties of selected diatomic molecular ions MgRb⁺ and SrRb⁺. Using high-level ab initio calculations based on a pseudopotential approach, along with large Gaussian basis sets and full valence configuration interaction (FCI), we accurately determine adiabatic potential energy curves, spectroscopic constants, transition dipole moments (TDMs), and permanent electric dipole moments (PDMs). To deepen our understanding of these systems, we calculate radiative lifetimes for vibrational levels in both ground and low-lying excited electronic states. This includes evaluating spontaneous and stimulated emission rates, as well as the effects of blackbody radiation. We also compute Franck–Condon factors and analyze photoassociation processes for both ions. Furthermore, to explore low-energy collisional dynamics, we investigate elastic scattering in the first excited states (2¹Σ⁺) describing the collision between the Ra atom and Mg⁺ or Sr⁺ ions. Our findings provide detailed insights into the theoretical electronic structure of these molecular ions, paving the way for future experimental studies in the field of cold and ultracold molecular ion physics. Full article

In order to explore the essence of the anticoccidiosis of anticoccidial drugs under bioelectric currents, the intermolecular double-proton transfer and conformational transformation of 4-pyridone-3-carboxylic acid were investigated by quantum chemistry calculations (at the M06-2X/6-311++G**, M06-2X/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTZ levels) and finite temperature string (FTS) under external electric fields. The solvent effect of H₂O on the double-proton transfer was evaluated by the integral equation formalism polarized continuum model. The results indicate that the influences of the external electric fields along the direction of the dipole moment on double-proton transfer are significant. The corresponding products are controlled by the direction of the external electric field. Due to the first-order Stark effect, some good linear relationships form between the changes of the structures, atoms in molecules (AIMs) results, surface electrostatic potentials, barriers of the transition state, and the external electric field strengths. From the gas to solvent phase, the barrier heights increased. The spatial order parameters (ϕ, ψ) of the conformational transformation could be quickly converged through the umbrella sampling and parameter averaging, and thus the free-energy landscape for the conformational transformation was obtained. Under the external electric field, there is competition between the double-proton transfer and conformational transformation. The external electric field greatly affects the cooperativity transfer, while it has little effect on the conformational transformation. This study is helpful in the selection and updating of anticoccidial drugs. Full article

Synthetic aperture radar images can be used for ship target detection. However, due to the unclear ship outline in SAR images, noise and land background factors affect the difficulty and accuracy of ship (especially small target ship) detection. Therefore, based on the YOLOv5s model, this paper improves its backbone network and feature fusion network algorithm to improve the accuracy of ship detection target recognition. First, the LSKModule is used to improve the backbone network of YOLOv5s. By adaptively aggregating the features extracted by large-size convolution kernels to fully obtain context information, at the same time, key features are enhanced and noise interference is suppressed. Secondly, multiple Depthwise Separable Convolution layers are added to the SPPF (Spatial Pyramid Pooling-Fast) structure. Although a small number of parameters and calculations are introduced, features of different receptive fields can be extracted. Third, the feature fusion network of YOLOv5s is improved based on BIFPN, and the shallow feature map is used to optimize the small target detection performance. Finally, the CoordConv module is added before the detect head of YOLOv5, and two coordinate channels are added during the convolution operation to further improve the accuracy of target detection. The map50 of this method for the SSDD dataset and HRSID dataset reached 97.6% and 91.7%, respectively, and was compared with a variety of advanced target detection models. The results show that the detection accuracy of this method is higher than other similar target detection algorithms. Full article

Aiming at the problems of low thermal analysis efficiency and high computational cost of traditional computational fluid dynamics (CFD) methods for modular fault-tolerant permanent magnet synchronous motors (MFT-PMSMs) under complex working conditions, this paper proposes a fast modeling and calculation method of motor temperature field based on a high-efficiency and high-precision network algorithm. In this method, the physical structure of the motor is equivalent to a parameterized network model, and the computational efficiency is significantly improved by model partitioning and Fourth-order Runge Kutta method. The temperature change of the cooling medium is further considered, and the temperature rise change of the motor at different spatial positions is effectively considered. Based on the finite element method (FEM), the space loss distribution under rated, single-phase open circuit and overload conditions is obtained and mapped to the thermal network nodes. Through the transient thermal network solution, the rapid calculation of the temperature rise law of key components such as windings and permanent magnets is realized. The accuracy of the thermal network model was verified by using fluid-structure coupling simulation and prototype test for temperature analysis. This method provides an efficient tool for thermal safety assessment and optimization in the motor fault-tolerant design stage, especially for heat capacity check under extreme conditions and fault modes. Full article

Frequent corn leaf diseases and pests pose serious threats to agricultural production. Traditional manual detection methods suffer from significant limitations in both performance and efficiency. To address this, the present paper proposes a novel biotic condition screening (BCS) model for the detection of corn leaf diseases and pests, called BCS_YOLO, based on the You Only Look Once version 11n (YOLOv11n). The proposed model enables accurate detection and classification of various corn leaf pathologies and pest infestations under challenging agricultural field conditions. It achieves this thanks to three key newly designed modules—a Self-Perception Coordinated Global Attention (SPCGA) module, a High/Low-Frequency Feature Enhancement (HLFFE) module, and a Local Attention Enhancement (LAE) module. The SPCGA module improves the model’s ability to perceive fine-grained targets by fusing multiple attention mechanisms. The HLFFE module adopts a frequency domain separation strategy to strengthen edge delineation and structural detail representation in affected areas. The LAE module effectively improves the model’s discrimination ability between targets and backgrounds through local importance calculation and intensity adjustment mechanisms. Conducted experiments show that BCS_YOLO achieves 78.4%, 73.7%, 76.0%, and 82.0% in $precision$, recall, $F1score$, and $mAP@50$, respectively, representing corresponding improvements of 3.0%, 3.3%, 3.2%, and 4.6% compared to the baseline model (YOLOv11n), while also outperforming the mainstream object detection models. In summary, the proposed BCS_YOLO model provides a practical and scalable solution for efficient detection of corn leaf diseases and pests in complex smart-agriculture scenarios, demonstrating significant theoretical and application value. Full article

In high-frequency surface wave radar (HFSWR) systems, the retrieval of the directional wave spectrum has remained challenging, especially in the case of echoes from long ranges with a low signal-to-noise ratio (SNR). Therefore, a quadratic programming algorithm based on the regularization technique is proposed with an empirical criterion for estimating the optimal regularization parameter, which minimizes the effect of noise to obtain more accurate inversion results. The reliability of the inversion method is preliminarily verified using simulated Doppler spectra under different wind speeds, wind directions, and SNRs. The directional wave spectra inverted from a radar network with two multiple-input multiple-output (MIMO) systems are basically consistent with those from the ERA5 data, while there is a limitation for the very concentrated directional distribution due to the truncated second order in the Fourier series. Further, in the field experiment during a storm that lasted three days, the wave parameters are calculated from the inverted directional spectra and compared with the ERA5 data. The results are shown to be in reasonable agreement at four typical locations in the core detection area. In addition, reasonable performance is also obtained under the condition of low SNRs, which further verifies the effectiveness of the proposed inversion algorithm. Full article

Tungsten and tungsten alloys are widely used in important industrial fields due to their high density, hardness, melting point, and corrosion resistance. However, machining often leaves processing marks on their surface, significantly affecting the surface quality of precision components in industrial applications. Electrolytic polishing offers high efficiency, low workpiece wear, and simple processing. In this study, an electrolytic polishing method is adopted and a novel trisodium phosphate–sodium hydroxide electrolytic polishing electrolyte is developed to study the effects of temperature, voltage, polishing time, and solution composition on the surface roughness of a tungsten–nickel–iron alloy. The optimal voltage, temperature, and polishing time are determined to be 15 V, 55 °C, and 35 s, respectively, when the concentrations of trisodium phosphate and sodium hydroxide are 100 g·L⁻¹ and 6 g·L⁻¹. In addition, glycerol is introduced into the electrolyte as an additive. The calculated LUMO value of glycerol is −5.90 eV and the HOMO value is 0.40 eV. Moreover, electron enrichment in the hydroxyl region of glycerol can form an adsorption layer on the surface of the tungsten alloy, inhibit the formation of micro-pits, balance ion diffusion, and thus promote the formation of a smooth surface. At 100 mL·L⁻¹ of glycerol, the roughness of the tungsten–nickel–iron alloy decreases significantly from 1.134 μm to 0.582 μm. The electrochemical polishing mechanism of the tungsten alloy in a trisodium phosphate electrolyte is further investigated and explained according to viscous film theory. This study demonstrates that the trisodium phosphate–sodium hydroxide–glycerol electrolyte is suitable for electropolishing tungsten–nickel–iron alloys. Overall, the results support the application of tungsten–nickel–iron alloy in the electronics, medical, and atomic energy industries. Full article

Robots are increasingly emerging as effective platforms to overcome a wide range of challenges in agriculture. Beyond functioning as standalone systems, agricultural robots are proving valuable as collaborative platforms, capable of supporting and integrating with humans and other technologies and agricultural activities. In this study, we designed and implemented an automated system embedded in a ground-based robotic platform to support spraying drone operations. The system consists of a robotic platform that carries the spraying drone along with all necessary support devices, including a water tank, chemical reservoirs, a mixer, generators for drone battery charging, and a top landing pad. The system is controlled with a mobile app that calculates the total amount of water and chemicals required and sends commands to the platform to prepare the application mixture. The input information in the app includes the field area, application rate, and up to three chemical dosages simultaneously. Additionally, the platform allows the drone to take off from and land on it, enhancing both safety and operability. A set of pumps was used to deliver water and chemicals as specified in the mobile app. To automate pump control, we used Arduino technology, including both the microcontroller and a programming environment for coding and designing the mobile app. To validate the system’s effectiveness, we individually measured the amount of water and chemical delivered to the mixer tank and compared it with conventional manual methods for calculating chemical quantities and preparation time. The system demonstrated consistent results, achieving high precision and accuracy in delivering the correct amount. This study advances the field of agricultural robotics by highlighting the role of collaborative platforms. Particularly, the system presents a valuable and low-cost solution for small farms and experimental research. Full article

With the widespread application of cyber–physical systems (CPS) in the field of automation, security concerns have become increasingly prominent. One critical and urgent challenge is the accurate identification of sensor nodes compromised by false data injection (FDI) attacks in multiple-input multiple-output (MIMO) control systems. Building on the implementation of multi-step sampling and residual-based anomaly detection using a support vector machine (SVM), this paper further introduces the Shapley value evaluation method from cooperative game theory and a voting mechanism, and proposes a method for node attack localization. First, multi-step sampling is conducted within each control period to provide a large amount of effective data for the localization of attacked sensor nodes. Next, the residual between the estimated value of the MIMO system’s full response and the actual value received by the controller is calculated, and an SVM model is used to detect anomalies in the residual. Finally, the Shapley value contribution of each residual to the SVM anomaly detection result is evaluated based on cooperative game theory and combined with a voting mechanism to achieve accurate localization of the attacked sensor nodes. Simulation results demonstrate that the proposed method achieves an anomaly detection accuracy of 96.472% and can accurately localize attacked nodes in both single-node and multi-node attack scenarios, indicating strong robustness and practical applicability. Full article

Previous research has demonstrated that the Train Wave Signature (TWS) method enables rapid calculation of pressure waves in straight tunnels. However, its application to subway tunnels with complex structural features remains insufficiently explored. This study proposes a generalized mathematical method integrating TWS with graph theory for the simulation of pressure wave generation, propagation, and reflection in complex tunnel systems. A computational program is implemented using this method for efficient simulation. The proposed method achieves high-accuracy prediction of pressure waves in tunnels with complex geometries compared with field measurements conducted in a high-speed subway tunnel with two shafts. We discuss the impact of iteration time intervals on the results and clarify the minimum time interval required for the calculation. Moreover, the sin-type definition of TWSs enhances the precision of pressure gradient prediction, and omitting low-amplitude pressure and reflected waves from the train can improve computational efficiency without compromising accuracy. This study advances the application of TWSs in tunnels with complex structures and provides a practical solution for aerodynamic analysis in high-speed subway tunnels, balancing accuracy with computational efficiency. Full article

There is a lack of systematic research on the comprehensive regulatory effects of urea and organic fertilizer application on soil quality and cotton yield in summer direct-seeded cotton fields in the Yangtze River Basin. Additionally, there is a redundancy of indicators in the cotton field soil quality evaluation system and a lack of reports on constructing a minimum dataset to evaluate the soil quality status of cotton fields. We aim to accurately and efficiently evaluate soil quality in cotton fields and screen nitrogen application measures that synergistically improve soil quality, cotton yield, and nitrogen fertilizer utilization efficiency. Taking the summer live broadcast cotton field in Jiangxi Province as the research object, four treatments, including CK without nitrogen application, CF with conventional nitrogen application, N1 with nitrogen reduction, and N2 with nitrogen reduction and organic fertilizer application, were set up for three consecutive years from 2022 to 2024. A total of 15 physical, chemical, and biological indicators of the 0–20 cm plow layer soil were measured in each treatment. A minimum dataset model was constructed to evaluate and verify the soil quality status of different nitrogen application treatments and to explore the physiological mechanisms of nitrogen application on yield performance and stability from the perspectives of cotton source–sink relationship, nitrogen use efficiency, and soil quality. The minimum dataset for soil quality evaluation in cotton fields consisted of five indicators: soil bulk density, moisture content, total nitrogen, organic carbon, and carbon-to-nitrogen ratio, with a simplification rate of 66.67% for the evaluation indicators. The soil quality index calculated based on the minimum dataset (MDS) was significantly positively correlated with the soil quality index of the total dataset (TDS) (R² = 0.904, p < 0.05). The model validation parameters RMSE was 0.0733, nRMSE was 13.8561%, and the d value was 0.9529, all indicating that the model simulation effect had reached a good level or above. The order of soil quality index based on MDS and TDS for CK, CF, N1, and N2 treatments was CK < N1 < CF < N2. The soil quality index of N2 treatment under MDS significantly increased by 16.70% and 26.16% compared to CF and N1 treatments, respectively. Compared with CF treatment, N2 treatment significantly increased nitrogen fertilizer partial productivity by 27.97%, 31.06%, and 21.77%, respectively, over a three-year period while maintaining the same biomass, yield level, yield stability, and yield sustainability. Meanwhile, N1 treatment had the risk of significantly reducing both boll density and seed cotton yield. Compared with N1 treatment, N2 treatment could significantly increase the biomass of reproductive organs during the flower and boll stage by 23.62~24.75% and the boll opening stage by 12.39~15.44%, respectively, laying a material foundation for the improvement in yield and yield stability. Under CF treatment, the cotton field soil showed a high degree of soil physical property barriers, while the N2 treatment reduced soil barriers in indicators such as bulk density, soil organic carbon content, and soil carbon-to-nitrogen ratio by 0.04, 0.04, 0.08, and 0.02, respectively, compared to CF treatment. In summary, the minimum dataset (MDS) retained only 33.3% of the original indicators while maintaining high accuracy, demonstrating the model’s efficiency. After reducing nitrogen by 20%, applying 10% total nitrogen organic fertilizer could substantially improve cotton biomass, cotton yield performance, yield stability, and nitrogen partial productivity while maintaining soil quality levels. This study also assessed yield stability and sustainability, not just productivity alone. The comprehensive nitrogen fertilizer management (reducing N + organic fertilizer) under the experimental conditions has high practical applicability in the intensive agricultural system in southern China. Full article

Water quality should be tested to ensure it is acceptable for the healthy growth of plants and animals, and water hardness is one of the important testing indexes. Herein, a novel approach was proposed to achieve high accuracy and rapid quantitative analyses of water hardness by combining one-point calibration laser-induced breakdown spectroscopy (OPC–LIBS) and aerosolization. First, the water samples are aerosolized via the aerosol generation device and the LIBS spectra of aerosols are obtained. Then, a modified OPC–LIBS model is used to determine the elemental contents of the aerosols via LIBS spectra, in which the plasma temperature is calculated using the Multi-Element Saha–Boltzmann (ME–SB) plot. One suitable standard liquid sample (the concentrations of Ca, Mg, and Sr were 50 mg/L, 50 mg/L, and 500 mg/L, respectively) was selected to evaluate the quantitative performance of the modified OPC–LIBS. Then, the Ca and Mg concentrations in the three real water samples (from the Yangtze River, reservoir, and underground) were detected and quantified by the proposed method, and the quantitative results of three LIBS calibration methods were compared with that of inductively coupled plasma optical emission spectroscopy (ICP–OES). The average relative error of Ca and Mg found in the OPC–LIBS results was lower by 22.23% than the internal standard method and 14.50% lower than the external standard method. The method combining modified OPC–LIBS and aerosolization can achieve high-precision rapid quantification of water hardness detection, which provides a new path for rapid detection of water hardness and is expected to make online detection a reality in the water quality testing field. Full article

Gas–water two-phase flow in horizontal and inclined wells is significantly influenced by gravitational forces and spatial asymmetry around the wellbore, resulting in complex and variable flow patterns. Accurate measurement of water holdup is essential for analyzing phase distribution and understanding multiphase flow behavior. Water holdup imaging provides a valuable means for visualizing the spatial distribution and proportion of gas and water phases within the wellbore. In this study, air and tap water were used to simulate downhole gas and formation water, respectively. An array capacitance arraay tool (CAT) was employed to measure water holdup under varying total flow rates and water cuts in a horizontal well experimental setup. A total of 228 datasets were collected, and the measurements were processed in MATLAB (2020 version) using three interpolation algorithms: simple linear interpolation, inverse distance interpolation, and Lagrangian nonlinear interpolation. Water holdup across the wellbore cross-section was also calculated using arithmetic averaging and integration methods. The results obtained from the three imaging algorithms were compared with these reference values to evaluate accuracy and visualize imaging performance. The CAT demonstrated reliable measurement capabilities under low- to medium-flow conditions, accurately capturing fluid distribution. For stratified flow regimes, the linear interpolation algorithm provided the clearest depiction of the gas–water interface. Under low- to medium-flow rates with high water content, both inverse distance and Lagrangian methods produced more refined images of phase distribution. In dispersed flow conditions, the Lagrangian nonlinear interpolation algorithm delivered the highest accuracy, effectively capturing subtle variations within the complex flow field. Full article

The synthesis and structural characterization of three new triple-stranded helical complexes ([Dy₂(L²)₃]2Cl∙15H₂O (C1), [Y₂(L²)₃]3(NO₃)Cl∙14H₂O∙DMSO (C2), and [Eu₂(L⁴)₃]∙12H₂O (C3), where L² and L⁴ are ligands derived from pyridoxal hydrochloride and succinic or adipic acid dihydrazides, respectively, were described. The X-ray data, combined with spectroscopic measurements, indicated that L² and L⁴ act as bis-tridentate ligands, presenting two tridentate chelating cavities O,N,O to obtain the dinuclear complexes C1–C3. Their antiviral profile was predicted via in silico calculations in terms of interaction with the structural severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike glycoprotein in the down- and up-states and complexed with the cellular receptor angiotensin-converting enzyme 2 (ACE2). The best affinity energy values (−9.506, −9.348, and −9.170 kJ/mol for C1, C2, and C3, respectively) were obtained for the inorganic complexes docked in the model spike-ACE2, with C1 being suggested as the most promising candidate for a future in vitro validation. The obtained in silico antiviral trend was supported by the prediction of the electronic and physical–chemical properties of the inorganic complexes via the density functional theory (DFT) approach, representing an original and relevant contribution to the bioinorganic and medicinal chemistry fields. Full article

This study aims to address the challenges posed by uneven energy amplitude and a low signal-to-noise ratio (SNR) in the total focus imaging of coarse-crystalline elastic anisotropic materials. A novel method for acoustic field correction vector-coherent total focus imaging, based on the materials’ properties, is proposed. To demonstrate the effectiveness of this method, a test specimen, an austenitic stainless steel nozzle weld, was employed. Seven side-drilled hole defects located at varying positions and depths, each with a diameter of 2 mm, were examined. An ultrasound simulation model was developed based on material backscatter diffraction results, and the scattering attenuation compensation factor was optimized. The acoustic field correction function was derived by combining acoustic field directivity with diffusion attenuation compensation. The phase coherence weighting coefficients were calculated, followed by image reconstruction. The results show that the proposed method significantly improves imaging amplitude uniformity and reduces the structural noise caused by the coarse crystal structure of austenitic stainless steel. Compared to conventional total focus imaging, the detection SNR of the seven defects increased by 2.34 dB to 10.95 dB. Additionally, the defect localization error was reduced from 0.1 mm to 0.05 mm, with a range of 0.70 mm to 0.88 mm. Full article