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21 pages, 4169 KiB  
Article
An Anisotropic Failure Characteristic- and Damage-Coupled Constitutive Model
by Ruiqing Chen, Jieyu Dai, Shuning Gu, Lang Yang, Laohu Long and Jundong Wang
Modelling 2025, 6(3), 75; https://doi.org/10.3390/modelling6030075 (registering DOI) - 1 Aug 2025
Abstract
This study proposes a coupled constitutive model that captures the anisotropic failure characteristics and damage evolution of nickel-based single-crystal (SX) superalloys under various temperature conditions. The model accounts for both creep rate and material damage evolution, enabling accurate prediction of the typical three-stage [...] Read more.
This study proposes a coupled constitutive model that captures the anisotropic failure characteristics and damage evolution of nickel-based single-crystal (SX) superalloys under various temperature conditions. The model accounts for both creep rate and material damage evolution, enabling accurate prediction of the typical three-stage creep curves, macroscopic fracture morphologies, and microstructural features under uniaxial tensile creep for specimens with different crystallographic orientations. Creep behavior of SX superalloys was simulated under multiple orientations and various temperature-stress conditions using the proposed model. The resulting creep curves aligned well with experimental observations, thereby validating the model’s feasibility and accuracy. Furthermore, a finite element model of cylindrical specimens was established, and simulations of the macroscopic fracture morphology were performed using a user-defined material subroutine. By integrating the rafting theory governed by interfacial energy density, the model successfully predicts the rafting morphology of the microstructure at the fracture surface for different crystallographic orientations. The proposed model maintains low programming complexity and computational cost while effectively predicting the creep life and deformation behavior of anisotropic materials. The model accurately captures the three-stage creep deformation behavior of SX specimens and provides reliable predictions of stress fields and microstructural changes at critical cross-sections. The model demonstrates high accuracy in life prediction, with all predicted results falling within a ±1.5× error band and an average error of 14.6%. Full article
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14 pages, 3905 KiB  
Article
Stability of Ultrafast Laser-Induced Stress in Fused Silica and Ultra-Low Expansion Glass
by Carolyn C. Hokin and Brandon D. Chalifoux
Photonics 2025, 12(8), 778; https://doi.org/10.3390/photonics12080778 (registering DOI) - 1 Aug 2025
Abstract
Stress fields imparted with an ultrafast laser can correct low spatial frequency surface figure error of mirrors through ultrafast laser stress figuring (ULSF): the formation of nanograting structures within the bulk substrate generates localized stress, creating bending moments that equilibrize via wafer deformation. [...] Read more.
Stress fields imparted with an ultrafast laser can correct low spatial frequency surface figure error of mirrors through ultrafast laser stress figuring (ULSF): the formation of nanograting structures within the bulk substrate generates localized stress, creating bending moments that equilibrize via wafer deformation. For ULSF to be used as an optical figuring process, the ultrafast laser generated stress must be effectively permanent or risk unwanted figure drift. Two isochronal annealing experiments were performed to measure ultrafast laser-generated stress stability in fused silica and Corning ultra-low expansion (ULE) wafers. The first experiment tracked changes to induced astigmatism up to 1000 °C on 25.4 mm-diameter wafers. Only small changes were measured after each thermal cycle up to 500 °C for both materials, but significant changes were observed at higher temperatures. The second experiment tracked stress changes in fused silica and ULE up to 500 °C but with 4 to 16× higher signal-to-noise ratio. Change in trefoil on 100 mm-diameter wafers was measured, and the induced stress in fused silica and ULE was found to be stable after thermal cycling up to 300 °C and 200 °C, respectively, with larger changes at higher temperatures. Full article
(This article belongs to the Special Issue Advances in Ultrafast Laser Science and Applications)
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21 pages, 3870 KiB  
Article
The Impact of Drilling Parameters on Drilling Temperature in High-Strength Steel Thin-Walled Parts
by Yupu Zhang, Ruyu Li, Yihan Liu, Chengwei Liu, Shutao Huang, Lifu Xu and Haicheng Shi
Appl. Sci. 2025, 15(15), 8568; https://doi.org/10.3390/app15158568 (registering DOI) - 1 Aug 2025
Abstract
High-strength steel has high strength and low thermal conductivity, and its thin-walled parts are very susceptible to residual stress and deformation caused by cutting heat during the drilling process, which affects the machining accuracy and quality. High-strength steel thin-walled components are widely used [...] Read more.
High-strength steel has high strength and low thermal conductivity, and its thin-walled parts are very susceptible to residual stress and deformation caused by cutting heat during the drilling process, which affects the machining accuracy and quality. High-strength steel thin-walled components are widely used in aerospace and other high-end sectors; however, systematic investigations into their temperature fields during drilling remain scarce, particularly regarding the evolution characteristics of the temperature field in thin-wall drilling and the quantitative relationship between drilling parameters and these temperature variations. This paper takes the thin-walled parts of AF1410 high-strength steel as the research object, designs a special fixture, and applies infrared thermography to measure the bottom surface temperature in the thin-walled drilling process in real time; this is carried out in order to study the characteristics of the temperature field during the thin-walled drilling process of high-strength steel, as well as the influence of the drilling dosage on the temperature field of the bottom surface. The experimental findings are as follows: in the process of thin-wall drilling of high-strength steel, the temperature field of the bottom surface of the workpiece shows an obvious temperature gradient distribution; before the formation of the drill cap, the highest temperature of the bottom surface of the workpiece is distributed in the central circular area corresponding to the extrusion of the transverse edge during the drilling process, and the highest temperature of the bottom surface can be approximated as the temperature of the extrusion friction zone between the top edge of the drill and the workpiece when the top edge of the drill bit drills to a position close to the bottom surface of the workpiece and increases with the increase in the drilling speed and the feed volume; during the process of drilling, the highest temperature of the bottom surface of the workpiece is approximated as the temperature of the top edge of the drill bit and the workpiece. The maximum temperature of the bottom surface of the workpiece in the drilling process increases nearly linearly with the drilling of the drill, and the slope of the maximum temperature increases nearly linearly with the increase in the drilling speed and feed, in which the influence of the feed on the slope of the maximum temperature increases is larger than that of the drilling speed. Full article
(This article belongs to the Special Issue Machine Automation: System Design, Analysis and Control)
15 pages, 3267 KiB  
Article
Monitoring and Analyzing Aquatic Vegetation Using Sentinel-2 Imagery Time Series: A Case Study in Chimaditida Shallow Lake in Greece
by Maria Kofidou and Vasilios Ampas
Limnol. Rev. 2025, 25(3), 35; https://doi.org/10.3390/limnolrev25030035 (registering DOI) - 1 Aug 2025
Abstract
Aquatic vegetation plays a crucial role in freshwater ecosystems by providing habitats, regulating water quality, and supporting biodiversity. This study aims to monitor and analyze the dynamics of aquatic vegetation in Chimaditida Shallow Lake, Greece, using Sentinel-2 satellite imagery, with validation from field [...] Read more.
Aquatic vegetation plays a crucial role in freshwater ecosystems by providing habitats, regulating water quality, and supporting biodiversity. This study aims to monitor and analyze the dynamics of aquatic vegetation in Chimaditida Shallow Lake, Greece, using Sentinel-2 satellite imagery, with validation from field measurements. Data processing was performed using Google Earth Engine and QGIS. The study focuses on discriminating and mapping two classes of aquatic surface conditions: areas covered with Floating and Emergent Aquatic Vegetation and open water, covering all seasons from 1 March 2024, to 28 February 2025. Spectral bands such as B04 (red), B08 (near infrared), B03 (green), and B11 (shortwave infrared) were used, along with indices like the Modified Normalized Difference Water Index and Normalized Difference Vegetation Index. The classification was enhanced using Otsu’s thresholding technique to distinguish accurately between Floating and Emergent Aquatic Vegetation and open water. Seasonal fluctuations were observed, with significant peaks in vegetation growth during the summer and autumn months, including a peak coverage of 2.08 km2 on 9 September 2024 and a low of 0.00068 km2 on 28 December 2024. These variations correspond to the seasonal growth patterns of Floating and Emergent Aquatic Vegetation, driven by temperature and nutrient availability. The study achieved a high overall classification accuracy of 89.31%, with producer accuracy for Floating and Emergent Aquatic Vegetation at 97.42% and user accuracy at 95.38%. Validation with Unmanned Aerial Vehicle-based aerial surveys showed a strong correlation (R2 = 0.88) between satellite-derived and field data, underscoring the reliability of Sentinel-2 for aquatic vegetation monitoring. Findings highlight the potential of satellite-based remote sensing to monitor vegetation health and dynamics, offering valuable insights for the management and conservation of freshwater ecosystems. The results are particularly useful for governmental authorities and natural park administrations, enabling near-real-time monitoring to mitigate the impacts of overgrowth on water quality, biodiversity, and ecosystem services. This methodology provides a cost-effective alternative for long-term environmental monitoring, especially in regions where traditional methods are impractical or costly. Full article
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18 pages, 3817 KiB  
Article
The Distribution Characteristics of Frost Heaving Forces on Tunnels in Cold Regions Based on Thermo-Mechanical Coupling
by Yujia Sun, Lei Peng and Qionglin Li
Appl. Sci. 2025, 15(15), 8537; https://doi.org/10.3390/app15158537 (registering DOI) - 31 Jul 2025
Abstract
To address the freezing damage to tunnel lining caused by frost heaving of the surrounding rock in water-rich tunnels in cold regions, a numerical thermo-mechanical coupling model for tunnel-surrounding rock that considers the anisotropy of frost heave deformation was established by examining overall [...] Read more.
To address the freezing damage to tunnel lining caused by frost heaving of the surrounding rock in water-rich tunnels in cold regions, a numerical thermo-mechanical coupling model for tunnel-surrounding rock that considers the anisotropy of frost heave deformation was established by examining overall frost heaves in a freeze–thaw cycle. Using a COMSOL Multiphysics 6.0 platform and the sequential coupling method, the temperature field evolution of tunnel-surrounding rock, freezing cycle development, and distribution characteristics of the frost heaving force of a tunnel lining under different minimum temperatures, numbers of negative temperature days, frost heave ratios, and anisotropy coefficients of frost heave deformation were systematically simulated. The results revealed that the response of the temperature field of tunnel-surrounding rock to the external temperature varies spatially with time lags, the shallow surface temperatures and the area around the lining fluctuate with the climate, and the temperature of the deep surrounding rock is dominated by the geothermal gradient. The extent of the freezing cycle and the frost heaving force increase significantly when lowering the minimum temperature. The maximum frost heaving force usually occurs in the region of the side wall and the spring line, and tensile stress is prone to be generated at the spring line; the influence of slight fluctuations in the minimum temperature or the short shift in the coldest day on the frost heaving force is limited. A substantial increase in frost heaving force is observed with higher frost heave ratios; for example, an increase from 0.25% to 2.0% results in a 116% rise at the sidewall. Although the increase in the anisotropy coefficient of frost heave deformation does not change the overall distribution pattern of frost heaving force, it can exacerbate the directional concentration of frost heave strain, which can increase the frost heaving force at the periphery of the top arch of the lining. This study revealed the distribution pattern and key influencing factors of the freezing cycle and frost heaving force for tunnels, providing a theoretical basis and data reference for the frost resistance design of tunnels in cold regions. Full article
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29 pages, 10070 KiB  
Article
The Influence of MoS2 Coatings on the Subsurface Stress Distribution in Bearing Raceways
by Bing Su, Chunhao Lu and Zeyu Gong
Lubricants 2025, 13(8), 336; https://doi.org/10.3390/lubricants13080336 (registering DOI) - 30 Jul 2025
Viewed by 189
Abstract
Many low-temperature applications, such as rocket engines and liquefied natural gas (LNG) transport pumps, necessitate ultra-low-temperature operational environments. In these conditions, the properties of lubricating oils and greases are significantly influenced by temperature, leading to the widespread adoption of solid lubrication. Currently, there [...] Read more.
Many low-temperature applications, such as rocket engines and liquefied natural gas (LNG) transport pumps, necessitate ultra-low-temperature operational environments. In these conditions, the properties of lubricating oils and greases are significantly influenced by temperature, leading to the widespread adoption of solid lubrication. Currently, there is no international research regarding the influence of bearing coatings on the subsurface stress distribution in raceways. The Lundberg–Palmgren (L-P) theory states that subsurface stress variations govern bearing lifespan. Therefore, this paper utilizes existing formulas and Python programming to calculate the subsurface stress field of the inner raceway in a MoS2 solid-lubricated angular contact ball bearing. Furthermore, it analyzes the impacts of factors such as coating material properties, slide-to-roll ratio, traction coefficient, and load on its subsurface stress field. The results reveal that for solid-lubricated ball bearings, as the load increases, the maximum subsurface stress shifts closer to the center of the contact area, and the maximum subsurface shear stress becomes more concentrated. As the traction coefficient increases, the stress on the XZ-plane side increases and its position moves closer to the surface, while the opposite trend is observed on the other side. Additionally, the maximum value of the subsurface von Mises stress is approximately 0.64P0, and the maximum value of the orthogonal shear stress component τyz in the subsurface is approximately 0.25P0. Full article
(This article belongs to the Special Issue Tribological Characteristics of Bearing System, 3rd Edition)
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13 pages, 6341 KiB  
Article
Interaction of Ethanolamine with Magnetite Through Molecular Dynamic Simulations
by Nikoleta Ivanova, Vasil Karastoyanov, Iva Betova and Martin Bojinov
Molecules 2025, 30(15), 3197; https://doi.org/10.3390/molecules30153197 - 30 Jul 2025
Viewed by 118
Abstract
Magnetite (Fe3O4) provides a protective corrosion layer in the steam generators of nuclear power plants. The presence of monoethanolamine (MEA) in coolant water has a beneficial effect on corrosion processes. In that context, the adsorption of MEA and ethanol–ammonium [...] Read more.
Magnetite (Fe3O4) provides a protective corrosion layer in the steam generators of nuclear power plants. The presence of monoethanolamine (MEA) in coolant water has a beneficial effect on corrosion processes. In that context, the adsorption of MEA and ethanol–ammonium cation on the {111} surface of magnetite was studied using the molecular dynamics (MD) method. A modified version of the mechanical force field (ClayFF) was used. The systems were simulated at different temperatures (423 K; 453 K; 503 K). Surface coverage data were obtained from adsorption simulations; the root-mean-square deviation (RMSD) of the target molecules were calculated, and their minimum distance to the magnetite surface was traced. The potential and adsorption energies of MEA were calculated as a function of temperature. It has been established that the interaction between MEA and magnetite is due to electrostatic phenomena and the adsorption rate increases with temperature. A comparison was made with existing experimental results and similar MD simulations. Full article
(This article belongs to the Section Computational and Theoretical Chemistry)
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22 pages, 5830 KiB  
Article
Design of and Experimental Study on Drying Equipment for Fritillaria ussuriensis
by Liguo Wu, Jiamei Qi, Liping Sun, Sanping Li, Qiyu Wang and Haogang Feng
Appl. Sci. 2025, 15(15), 8427; https://doi.org/10.3390/app15158427 - 29 Jul 2025
Viewed by 100
Abstract
To address the problems of the time consumption, labor intensiveness, easy contamination, uneven drying, and impact on the medicinal efficacy of Fritillaria ussuriensis in the traditional drying method, the hot-air-drying characteristics of Fritillaria ussuriensis were studied. The changes in the moisture ratio and [...] Read more.
To address the problems of the time consumption, labor intensiveness, easy contamination, uneven drying, and impact on the medicinal efficacy of Fritillaria ussuriensis in the traditional drying method, the hot-air-drying characteristics of Fritillaria ussuriensis were studied. The changes in the moisture ratio and drying rate of Fritillaria ussuriensis under different hot-air-drying conditions (45 °C, 55 °C, 65 °C) were compared and analyzed. Six common mathematical models were used to fit the moisture change law, and it was found that the cubic model was the most suitable for describing the drying characteristics of Fritillaria ussuriensis. The R2 values after fitting under the three temperature conditions were all greater than 0.99, and the maximum was achieved at 45 °C. Based on the principle of hot-air drying, a drying device for Fritillaria ussuriensis with a processing capacity of 15 kg/h was designed. It adopted a thermal circulation structure of inner and outer drying ovens, with the heating chamber separated from the drying chamber. The structural parameters were optimized based on Fluent simulation analysis. After optimization, the temperature of each layer was stable at 338 K ± 2 K, and the pressure field and velocity field were evenly distributed. The drying process parameters of Fritillaria ussuriensis were optimized based on response surface analysis, and the optimal process parameters were obtained as follows: inlet temperature: 338 K (65 °C), inlet air velocity: 3 m/s, and drying time: 10 h. The simulation results showed that the predicted moisture content of Fritillaria ussuriensis under the optimal working conditions was 12.58%, the temperature difference of Fritillaria ussuriensis at different positions was within 0.8 °C, and the humidity deviation was about 1%. A prototype of the drying device was built, and the drying test of Fritillaria ussuriensis was carried out. It was found that the temperature and moisture content of Fritillaria ussuriensis were consistent with the simulation results and met the design requirements, verifying the rationality of the device structure and the reliability of the simulation model. This design can significantly improve the distribution of the internal flow field and temperature field of the drying device, improve the drying quality and production efficiency of Fritillaria ussuriensis, and provide a technical reference for the Chinese herbal medicine-drying industry. Full article
(This article belongs to the Section Mechanical Engineering)
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21 pages, 6272 KiB  
Article
Numerical Study of Gas Dynamics and Condensate Removal in Energy-Efficient Recirculation Modes in Train Cabins
by Ivan Panfilov, Alexey N. Beskopylny, Besarion Meskhi and Sergei F. Podust
Fluids 2025, 10(8), 197; https://doi.org/10.3390/fluids10080197 - 29 Jul 2025
Viewed by 116
Abstract
Maintaining the required relative humidity values in the vehicle cabin is an important HVAC task, along with considerations related to the temperature, velocity, air pressure and noise. Deviation from the optimal values worsens the psycho-physiological state of the driver and affects the energy [...] Read more.
Maintaining the required relative humidity values in the vehicle cabin is an important HVAC task, along with considerations related to the temperature, velocity, air pressure and noise. Deviation from the optimal values worsens the psycho-physiological state of the driver and affects the energy efficiency of the train. In this study, a model of liquid film formation on and removal from various cabin surfaces was constructed using the fundamental Navier–Stokes hydrodynamic equations. A special transport model based on the liquid vapor diffusion equation was used to simulate the air environment inside the cabin. The evaporation and condensation of surface films were simulated using the Euler film model, which directly considers liquid–gas and gas–liquid transitions. Numerical results were obtained using the RANS equations and a turbulence model by means of the finite volume method in Ansys CFD. Conjugate fields of temperature, velocity and moisture concentration were constructed for various time intervals, and the dependence values for the film thicknesses on various surfaces relative to time were determined. The verification was conducted in comparison with the experimental data, based on the protocol for measuring the microclimate indicators in workplaces, as applied to the train cabin: the average ranges encompassed temperature changes from 11% to 18%, and relative humidity ranges from 16% to 26%. Comparison with the results of other studies, without considering the phase transition and condensation, shows that, for the warm mode, the average air temperature in the cabin with condensation is 12.5% lower than without condensation, which is related to the process of liquid evaporation from the heated walls. The difference in temperature values for the model with and without condensation ranged from −12.5% to +4.9%. We demonstrate that, with an effective mode of removing condensate film from the window surface, including recirculation modes, the energy consumption of the climate control system improves significantly, but this requires a more accurate consideration of thermodynamic parameters and relative humidity. Thus, considering the moisture condensation model reveals that this variable can significantly affect other parameters of the microclimate in cabins: in particular, the temperature. This means that it should be considered in the numerical modeling, along with the basic heat transfer equations. Full article
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29 pages, 16630 KiB  
Article
Impact of Radar Data Assimilation on the Simulation of Typhoon Morakot
by Lingkun Ran and Cangrui Wu
Atmosphere 2025, 16(8), 910; https://doi.org/10.3390/atmos16080910 - 28 Jul 2025
Viewed by 174
Abstract
The high spatial resolution of radar data enables the detailed resolution of typhoon vortices and their embedded structures; the assimilation of radar data in the initialization of numerical weather prediction exerts an important influence on the forecasting of typhoon track, intensity, and structures [...] Read more.
The high spatial resolution of radar data enables the detailed resolution of typhoon vortices and their embedded structures; the assimilation of radar data in the initialization of numerical weather prediction exerts an important influence on the forecasting of typhoon track, intensity, and structures up to at least 12 h. For the case of typhoon Morakot (2009), Taiwan radar data was assimilated to adjust the dynamic and thermodynamic structures of the vortex in the model initialization by the three-dimensional variation data assimilation system in the Advanced Region Prediction System (ARPS). The radial wind was directly assimilated to tune the original unbalanced velocity fields through a 3-dimensional variation method, and complex cloud analysis was conducted by using the reflectivity data. The influence of radar data assimilation on typhoon prediction was examined at the stages of Morakot landing on Taiwan Island and subsequently going inland. The results showed that the assimilation made some improvement in the prediction of vortex intensity, track, and structures in the initialization and subsequent forecast. For example, besides deepening the central sea level pressure and enhancing the maximum surface wind speed, the radar data assimilation corrected the typhoon center movement to the best track and adjusted the size and inner-core structure of the vortex to be close to the observations. It was also shown that the specific humidity adjustment in the cloud analysis procedure during the assimilation time window played an important role, producing more hydrometeors and tuning the unbalanced moisture and temperature fields. The neighborhood-based ETS revealed that the assimilation with the specific humidity adjustment was propitious in improving forecast skill, specifically for smaller-scale reflectivity at the stage of Morakot landing, and for larger-scale reflectivity at the stage of Morakot going inland. The calculation of the intensity-scale skill score of the hourly precipitation forecast showed the assimilation with the specific humidity adjustment performed skillful forecasting for the spatial forecast-error scales of 30–160 km. Full article
(This article belongs to the Section Atmospheric Techniques, Instruments, and Modeling)
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26 pages, 4687 KiB  
Article
Geant4-Based Logging-While-Drilling Gamma Gas Detection for Quantitative Inversion of Downhole Gas Content
by Xingming Wang, Xiangyu Wang, Qiaozhu Wang, Yuanyuan Yang, Xiong Han, Zhipeng Xu and Luqing Li
Processes 2025, 13(8), 2392; https://doi.org/10.3390/pr13082392 - 28 Jul 2025
Viewed by 280
Abstract
Downhole kick is one of the most severe safety hazards in deep and ultra-deep well drilling operations. Traditional monitoring methods, which rely on surface flow rate and fluid level changes, are limited by their delayed response and insufficient sensitivity, making them inadequate for [...] Read more.
Downhole kick is one of the most severe safety hazards in deep and ultra-deep well drilling operations. Traditional monitoring methods, which rely on surface flow rate and fluid level changes, are limited by their delayed response and insufficient sensitivity, making them inadequate for early warning. This study proposes a real-time monitoring technique for gas content in drilling fluid based on the attenuation principle of Ba-133 γ-rays. By integrating laboratory static/dynamic experiments and Geant4-11.2 Monte Carlo simulations, the influence mechanism of gas–liquid two-phase media on γ-ray transmission characteristics is systematically elucidated. Firstly, through a comparative analysis of radioactive source parameters such as Am-241 and Cs-137, Ba-133 (main peak at 356 keV, half-life of 10.6 years) is identified as the optimal downhole nuclear measurement source based on a comparative analysis of penetration capability, detection efficiency, and regulatory compliance. Compared to alternative sources, Ba-133 provides an optimal energy range for detecting drilling fluid density variations, while also meeting exemption activity limits (1 × 106 Bq) for field deployment. Subsequently, an experimental setup with drilling fluids of varying densities (1.2–1.8 g/cm3) is constructed to quantify the inverse square attenuation relationship between source-to-detector distance and counting rate, and to acquire counting data over the full gas content range (0–100%). The Monte Carlo simulation results exhibit a mean relative error of 5.01% compared to the experimental data, validating the physical correctness of the model. On this basis, a nonlinear inversion model coupling a first-order density term with a cubic gas content term is proposed, achieving a mean absolute percentage error of 2.3% across the full range and R2 = 0.999. Geant4-based simulation validation demonstrates that this technique can achieve a measurement accuracy of ±2.5% for gas content within the range of 0–100% (at a 95% confidence interval). The anticipated field accuracy of ±5% is estimated by accounting for additional uncertainties due to temperature effects, vibration, and mud composition variations under downhole conditions, significantly outperforming current surface monitoring methods. This enables the high-frequency, high-precision early detection of kick events during the shut-in period. The present study provides both theoretical and technical support for the engineering application of nuclear measurement techniques in well control safety. Full article
(This article belongs to the Section Chemical Processes and Systems)
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26 pages, 21628 KiB  
Article
Key Controlling Factors of Deep Coalbed Methane Reservoir Characteristics in Yan’an Block, Ordos Basin: Based on Multi-Scale Pore Structure Characterization and Fluid Mobility Research
by Jianbo Sun, Sijie Han, Shiqi Liu, Jin Lin, Fukang Li, Gang Liu, Peng Shi and Hongbo Teng
Processes 2025, 13(8), 2382; https://doi.org/10.3390/pr13082382 - 27 Jul 2025
Viewed by 234
Abstract
The development of deep coalbed methane (buried depth > 2000 m) in the Yan’an block of Ordos Basin is limited by low permeability, the pore structure of the coal reservoir, and the gas–water occurrence relationship. It is urgent to clarify the key control [...] Read more.
The development of deep coalbed methane (buried depth > 2000 m) in the Yan’an block of Ordos Basin is limited by low permeability, the pore structure of the coal reservoir, and the gas–water occurrence relationship. It is urgent to clarify the key control mechanism of pore structure on gas migration. In this study, based on high-pressure mercury intrusion (pore size > 50 nm), low-temperature N2/CO2 adsorption (0.38–50 nm), low-field nuclear magnetic resonance technology, fractal theory and Pearson correlation coefficient analysis, quantitative characterization of multi-scale pore–fluid system was carried out. The results show that the multi-scale pore network in the study area jointly regulates the occurrence and migration process of deep coalbed methane in Yan’an through the ternary hierarchical gas control mechanism of ‘micropore adsorption dominant, mesopore diffusion connection and macroporous seepage bottleneck’. The fractal dimensions of micropores and seepage are between 2.17–2.29 and 2.46–2.58, respectively. The shape of micropores is relatively regular, the complexity of micropore structure is low, and the confined space is mainly slit-like or ink bottle-like. The pore-throat network structure is relatively homogeneous, the difference in pore throat size is reduced, and the seepage pore shape is simple. The bimodal structure of low-field nuclear magnetic resonance shows that the bound fluid is related to the development of micropores, and the fluid mobility mainly depends on the seepage pores. Pearson’s correlation coefficient showed that the specific surface area of micropores was strongly positively correlated with methane adsorption capacity, and the nanoscale pore-size dominated gas occurrence through van der Waals force physical adsorption. The specific surface area of mesopores is significantly positively correlated with the tortuosity. The roughness and branch structure of the inner surface of the channel lead to the extension of the migration path and the inhibition of methane diffusion efficiency. Seepage porosity is linearly correlated with gas permeability, and the scale of connected seepage pores dominates the seepage capacity of reservoirs. This study reveals the pore structure and ternary grading synergistic gas control mechanism of deep coal reservoirs in the Yan’an Block, which provides a theoretical basis for the development of deep coalbed methane. Full article
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19 pages, 1940 KiB  
Article
Linkages Between Sorghum bicolor Root System Architectural Traits and Grain Yield Performance Under Combined Drought and Heat Stress Conditions
by Alec Magaisa, Elizabeth Ngadze, Tshifhiwa P. Mamphogoro, Martin P. Moyo and Casper N. Kamutando
Agronomy 2025, 15(8), 1815; https://doi.org/10.3390/agronomy15081815 - 26 Jul 2025
Viewed by 242
Abstract
Breeding programs often overlook the use of root traits. Therefore, we investigated the relevance of sorghum root traits in explaining its adaptation to combined drought and heat stress (CDHS). Six (i.e., three pre-release lines + three checks) sorghum genotypes were established at two [...] Read more.
Breeding programs often overlook the use of root traits. Therefore, we investigated the relevance of sorghum root traits in explaining its adaptation to combined drought and heat stress (CDHS). Six (i.e., three pre-release lines + three checks) sorghum genotypes were established at two low-altitude (i.e., <600 masl) locations with a long-term history of averagely very high temperatures in the beginning of the summer season, under two management (i.e., CDHS and well-watered (WW)) regimes. At each location, the genotypes were laid out in the field using a randomized complete block design (RCBD) replicated two times. Root trait data, namely root diameter (RD), number of roots (NR), number of root tips (NRT), total root length (TRL), root depth (RDP), root width (RW), width–depth ratio (WDR), root network area (RNA), root solidity (RS), lower root area (LRA), root perimeter (RP), root volume (RV), surface area (SA), root holes (RH) and root angle (RA) were gathered using the RhizoVision Explorer software during the pre- and post-flowering stage of growth. RSA traits differentially showed significant (p < 0.05) correlations with grain yield (GY) at pre- and post-flowering growth stages and under CDHS and WW conditions also revealing genotypic variation estimates exceeding 50% for all the traits. Regression models varied between pre-flowering (p = 0.013, R2 = 47.15%, R2 Predicted = 29.32%) and post-flowering (p = 0.000, R2 = 85.64%, R2 Predicted = 73.30%) growth stages, indicating post-flowering as the optimal stage to relate root traits to yield performance. RD contributed most to the regression model at post-flowering, explaining 51.79% of the 85.64% total variation. The Smith–Hazel index identified ICSV111IN and ASAREACA12-3-1 as superior pre-release lines, suitable for commercialization as new varieties. The study demonstrated that root traits (in particular, RD, RW, and RP) are linked to crop performance under CDHS conditions and should be incorporated in breeding programs. This approach may accelerate genetic gains not only in sorghum breeding programs, but for other crops, while offering a nature-based breeding strategy for stress adaptation in crops. Full article
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17 pages, 1742 KiB  
Article
Assessment of Aerodynamic Properties of the Ventilated Cavity in Curtain Wall Systems Under Varying Climatic and Design Conditions
by Nurlan Zhangabay, Aizhan Zhangabay, Kenzhebek Akmalaiuly, Akmaral Utelbayeva and Bolat Duissenbekov
Buildings 2025, 15(15), 2637; https://doi.org/10.3390/buildings15152637 - 25 Jul 2025
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Abstract
Creating a comfortable microclimate in the premises of buildings is currently becoming one of the priorities in the field of architecture, construction and engineering systems. The increased attention from the scientific community to this topic is due not only to the desire to [...] Read more.
Creating a comfortable microclimate in the premises of buildings is currently becoming one of the priorities in the field of architecture, construction and engineering systems. The increased attention from the scientific community to this topic is due not only to the desire to ensure healthy and favorable conditions for human life but also to the need for the rational use of energy resources. This area is becoming particularly relevant in the context of global challenges related to climate change, rising energy costs and increased environmental requirements. Practice shows that any technical solutions to ensure comfortable temperature, humidity and air exchange in rooms should be closely linked to the concept of energy efficiency. This allows one not only to reduce operating costs but also to significantly reduce greenhouse gas emissions, thereby contributing to sustainable development and environmental safety. In this connection, this study presents a parametric assessment of the influence of climatic and geometric factors on the aerodynamic characteristics of the air cavity, which affect the heat exchange process in the ventilated layer of curtain wall systems. The assessment was carried out using a combined analytical calculation method that provides averaged thermophysical parameters, such as mean air velocity (Vs), average internal surface temperature (tin.sav), and convective heat transfer coefficient (αs) within the air cavity. This study resulted in empirical average values, demonstrating that the air velocity within the cavity significantly depends on atmospheric pressure and façade height difference. For instance, a 10-fold increase in façade height leads to a 4.4-fold increase in air velocity. Furthermore, a three-fold variation in local resistance coefficients results in up to a two-fold change in airflow velocity. The cavity thickness, depending on atmospheric pressure, was also found to affect airflow velocity by up to 25%. Similar patterns were observed under ambient temperatures of +20 °C, +30 °C, and +40 °C. The analysis confirmed that airflow velocity is directly affected by cavity height, while the impact of solar radiation is negligible. However, based on the outcomes of the analytical model, it was concluded that the method does not adequately account for the effects of solar radiation and vertical temperature gradients on airflow within ventilated façades. This highlights the need for further full-scale experimental investigations under hot climate conditions in South Kazakhstan. The findings are expected to be applicable internationally to regions with comparable climatic characteristics. Ultimately, a correct understanding of thermophysical processes in such structures will support the advancement of trends such as Lightweight Design, Functionally Graded Design, and Value Engineering in the development of curtain wall systems, through the optimized selection of façade configurations, accounting for temperature loads under specific climatic and design conditions. Full article
(This article belongs to the Section Building Energy, Physics, Environment, and Systems)
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20 pages, 2460 KiB  
Article
Kinetics of Proton Transfer and String of Conformational Transformation for 4-Pyridone-3-carboxylic Acid Under External Electric Field
by Ya-Wen Li, Rui-Zhi Feng, Xiao-Jiang Li, Ai-Chuan Liu and En-Lin Wang
Molecules 2025, 30(15), 3115; https://doi.org/10.3390/molecules30153115 - 25 Jul 2025
Viewed by 144
Abstract
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) [...] Read more.
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
(This article belongs to the Section Computational and Theoretical Chemistry)
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