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Empirical analysis of electric vehicle charging load forecasting based on Monte Carlo simulation model
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作者 Kun Wei Guang Tian +3 位作者 Yang Yang Xufeng Zhang Yuanying Chi Yi Zheng 《Global Energy Interconnection》 2026年第1期131-142,共12页
With the rapid proliferation of electric vehicles,their charging loads pose new challenges to power grid stability and operational efficiency.To address this,this study employs a Monte Carlo simulation model to analyz... With the rapid proliferation of electric vehicles,their charging loads pose new challenges to power grid stability and operational efficiency.To address this,this study employs a Monte Carlo simulation model to analyze the charging load characteristics of six battery electric vehicle categories in Hebei Province,leveraging multi-source probabilistic distribution data under typical operational scenarios.The findings reveal that electric vehicle charging loads are primarily concentrated during midday and nighttime periods,with significant load fluctuations exerting substantial pressure on the grid.In response,this paper proposes strategic interventions including optimized charging infrastructure planning,time-of-use electricity pricing mechanisms,and smart charging technologies to balance grid loads.The results provide a theoretical foundation for electric vehicle load forecasting,smart grid dispatching,and vehicle-grid integration,thereby enhancing grid operational efficiency and sustainability. 展开更多
关键词 Electric vehicles Monte CarloLoad forecasting simulation analysis
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Quantifying the Cooling Potential of Urban Tree Species:A Trait-Based Approach Using Envi-Met Simulations and Regression Analysis
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作者 Pallavi Sharma Ramkishore Singh 《Research in Ecology》 2026年第1期169-184,共16页
Urban Heat Island(UHI)effects are exacerbated by the expansion of impervious surfaces and loss of vegetation in urban centers,leading to elevated air and surface temperatures and reduced thermal comfort.Urban trees,th... Urban Heat Island(UHI)effects are exacerbated by the expansion of impervious surfaces and loss of vegetation in urban centers,leading to elevated air and surface temperatures and reduced thermal comfort.Urban trees,through shading and evapotranspiration,are among the most effective Nature-based Solutions(NbS)for passive cooling.This study assesses the cooling potential of selected tree species by analyzing their morphological and physiological traits using a combination of ENVI-met microclimate simulations and multiple regression modeling.A total of 15 urban tree species were selected from the literature and analyzed based on their dependency of their cooling efficacy.Later validated in urban setting by Envi-met simulations.Key traits,such as Leaf Area Index(LAI),canopy density,transpiration rate,tree height,rooting depth,and water availability,were analyzed.Multiple linear regression analysis was conducted to quantify the contribution of each trait to ambient temperature reduction.Results revealed that LAI(R^(2)=0.76,p<0.001)and transpiration rate(R^(2)=0.71,p<0.001)were the most significant predictors of daytime cooling,while canopy openness and tree height were more strongly correlated with nighttime heat dissipation.High-performing species,such as Ficus benghalensis,Azadirachta indica,and Samanea saman,demonstrated a maximum temperature reduction of 2.5-4.2℃,especially in compact,low-rise,and mid-rise zones.The study provides a quantitative trait-based framework for tree selection in urban greening initiatives and offers evidence to guide landscape planning and UHI mitigation strategies through scientifically informed plantation design. 展开更多
关键词 Urban Heat Island Cooling Efficacy of Tree Species Regression analysis Envi-Met simulations
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Post-buckling analysis of square film under in-plane torsion:experiment and simulation comparisons
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作者 Yiming Shan Liang Wang Wenwang Wu 《Acta Mechanica Sinica》 2026年第1期220-232,共13页
Thin-film structures are widely used in industry due to their advantages in lightweight,flexibility and deployability.This paper investigates the wrinkling deformation pattern of square film subjected to in-plane tors... Thin-film structures are widely used in industry due to their advantages in lightweight,flexibility and deployability.This paper investigates the wrinkling deformation pattern of square film subjected to in-plane torsion through the post-buckling theory of shell,with the geometric nonlinear behavior derived by energy principle and analyzed with finite element method.An equal-sized experimental verification platform is designed and fabricated,and the wrinkling surface of polyimide film driven by rotary motor is reconstructed by 3D-digital image correlation measurement and verified with finite element simulation comparisons.Wrinkling region within the film expands continuously as the torsion proceeds,accompanied by multiple wrinkling configuration transitions throughout the complete evolutionary process.Due to the non-axial symmetry between structure and loading,significant discrepancies arise in amplitude,span and wavelength between different stripes,effects of thickness,torsion radius and pre-stretch on wrinkling pattern configuration are further discussed.This study can provide valuable references for understanding the wrinkling mechanism of hard film under complex torsion loading. 展开更多
关键词 Film structure Post-buckling theory Wrinkling configuration 3D-DIC measurement Finite element analysis
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Carbon Footprint and Economic Analysis of LNG-fueled Fishing Vessel Using Real Engine Performance Simulation
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作者 Momir Sjerić Maja Perčić +1 位作者 Ivana Jovanović Nikola Vladimir 《哈尔滨工程大学学报(英文版)》 2026年第1期259-276,共18页
Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This st... Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions. 展开更多
关键词 1D/0D simulation Carbon footprint Fishing vessels Life cycle assessment Life cycle cost assessment Liquefied natural gas
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Broadband ground motion simulation and analysis of a near-fault 3D basin-mountain coupling site based on the hybrid method
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作者 Liu Zhongxian Tang Kang +2 位作者 Li Chengcheng Yuan Xiaoming Zhang Hai 《Earthquake Engineering and Engineering Vibration》 2026年第1期87-110,共24页
This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SE... This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions. 展开更多
关键词 hybrid ground motion simulation method spectral element method three-dimensional stochastic finite fault method near-fault basin-mountain coupling effect basin effect nonlinear effect
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Microstructure Analysis of TC4/Al 6063/Al 7075 Explosive Welded Composite Plate via Multi-scale Simulation and Experiment 被引量:1
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作者 Zhou Jianan Luo Ning +3 位作者 Liang Hanliang Chen Jinhua Liu Zhibing Zhou Xiaohong 《稀有金属材料与工程》 北大核心 2025年第1期27-38,共12页
Because of the challenge of compounding lightweight,high-strength Ti/Al alloys due to their considerable disparity in properties,Al 6063 as intermediate layer was proposed to fabricate TC4/Al 6063/Al 7075 three-layer ... Because of the challenge of compounding lightweight,high-strength Ti/Al alloys due to their considerable disparity in properties,Al 6063 as intermediate layer was proposed to fabricate TC4/Al 6063/Al 7075 three-layer composite plate by explosive welding.The microscopic properties of each bonding interface were elucidated through field emission scanning electron microscope and electron backscattered diffraction(EBSD).A methodology combining finite element method-smoothed particle hydrodynamics(FEM-SPH)and molecular dynamics(MD)was proposed for the analysis of the forming and evolution characteristics of explosive welding interfaces at multi-scale.The results demonstrate that the bonding interface morphologies of TC4/Al 6063 and Al 6063/Al 7075 exhibit a flat and wavy configuration,without discernible defects or cracks.The phenomenon of grain refinement is observed in the vicinity of the two bonding interfaces.Furthermore,the degree of plastic deformation of TC4 and Al 7075 is more pronounced than that of Al 6063 in the intermediate layer.The interface morphology characteristics obtained by FEM-SPH simulation exhibit a high degree of similarity to the experimental results.MD simulations reveal that the diffusion of interfacial elements predominantly occurs during the unloading phase,and the simulated thickness of interfacial diffusion aligns well with experimental outcomes.The introduction of intermediate layer in the explosive welding process can effectively produce high-quality titanium/aluminum alloy composite plates.Furthermore,this approach offers a multi-scale simulation strategy for the study of explosive welding bonding interfaces. 展开更多
关键词 TC4/Al 6063/Al 7075 composite plate explosive welding microstructure analysis multi-scale simulation
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基于SolidWorks Simulation的“双肺模型”智能宠物烘干箱设计与试验
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作者 钱涛 李颖 +1 位作者 巨潮哲 费利君 《包装工程》 北大核心 2026年第2期143-156,共14页
目的为了全面改进宠物烘干箱的烘干效率与功能体验,设计一款“双向流通、多面循环”的“双肺模型”智能宠物烘干箱。方法提出“双肺模型”风道设计原理与原则,并使用SolidWorks Simulation有限元分析工具进行腔体建模及风力循环系统模... 目的为了全面改进宠物烘干箱的烘干效率与功能体验,设计一款“双向流通、多面循环”的“双肺模型”智能宠物烘干箱。方法提出“双肺模型”风道设计原理与原则,并使用SolidWorks Simulation有限元分析工具进行腔体建模及风力循环系统模拟试验,根据风道试验结果推导出“双肺模型”宠物烘干箱风道设计的基本构型,再结合腔体试验结果与智能设计方法进行产品外观造型与功能结构设计。结果基于SolidWorks Simulation仿真试验的有限元分析表明,17.5°凸面腔体、底部进风“三进两出”的“双肺模型”,用于宠物烘干箱的风道设计,能够最大限度地利用风速流动,发挥其风道效能以提升烘干效率。结论功能分析表明,由于“双肺模型”风道设计改善了腔体内的风速流通和空气循环,在降低风速的情况下,依然能够保持较好的烘干效率,而风速的降低有助于提升宠物适应性及减轻噪声干扰。烘干效果测试及用户体验评价验证了“双肺模型”风道设计对本产品功能体验的全方位改进。 展开更多
关键词 SolidWorks simulation 双肺模型 风道设计 宠物烘干箱 智能产品设计
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Progress on Multi-Field Coupling Simulation Methods in Deep Strata Rock Breaking Analysis 被引量:1
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作者 Baoping Zou Chenhao Pei +3 位作者 Qizhi Chen Yansheng Deng Yongguo Chen Xu Long 《Computer Modeling in Engineering & Sciences》 2025年第3期2457-2485,共29页
The utilization of multi-field coupling simulation methods has become a pivotal approach for the investigation of intricate fracture behavior and interaction mechanisms of rock masses in deep strata.The high temperatu... The utilization of multi-field coupling simulation methods has become a pivotal approach for the investigation of intricate fracture behavior and interaction mechanisms of rock masses in deep strata.The high temperatures,pressures and complex geological environments of deep strata frequently result in the coupling of multiple physical fields,including mechanical,thermal and hydraulic fields,during the fracturing of rocks.This review initially presents an overview of the coupling mechanisms of these physical fields,thereby elucidating the interaction processes ofmechanical,thermal,and hydraulic fields within rockmasses.Secondly,an in-depth analysis ofmulti-field coupling is conducted from both spatial and temporal perspectives,with the introduction of simulation methods for a range of scales.It emphasizes cross-scale coupling methodologies for the transfer of rock properties and physical field data,including homogenization techniques,nested coupling strategies and data-driven approaches.To address the discontinuous characteristics of the rock fracture process,the review provides a detailed explanation of continuousdiscontinuous couplingmethods,to elucidate the evolution of rock fracturing and deformationmore comprehensively.In conclusion,the review presents a summary of the principal points,challenges and future directions of multi-field coupling simulation research.It also puts forward the potential of integrating intelligent algorithms with multi-scale simulation techniques to enhance the accuracy and efficiency of multi-field coupling simulations.This offers novel insights into multi-field coupling simulation analysis in deep rock masses. 展开更多
关键词 Multi-field coupling numerical simulation MULTI-SCALE information transfer DISCONTINUITY
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Omnidirectional simulation analysis of thermomechanical coupling mechanism in inertia friction welding of Ni-based superalloy 被引量:1
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作者 Chang-an LI Guoliang QIN Hao WANG 《Chinese Journal of Aeronautics》 2025年第1期202-216,共15页
The coupling between heat and pressure is the kernel of inertia friction welding(IFW)and is still not fully understood.A novel 3D fully coupled finite element model based on a plastic friction pair was developed to si... The coupling between heat and pressure is the kernel of inertia friction welding(IFW)and is still not fully understood.A novel 3D fully coupled finite element model based on a plastic friction pair was developed to simulate the IFW process of a Ni-based superalloy and reveal the omnidirectional thermo-mechanical coupling mechanism of the friction interface.The numerical model successfully simulated the deceleration,deformation processes,and peak torsional moments in IFW and captured the evolution of temperature,contact pressure,and stress.The simulated results were validated through measured thermal history,optical macrography,and axial shortening.The results indicated that interfacial friction heat was the primary heat source,and plastic deformation energy only accounted for 4%of the total.The increase in initial rotational speed and friction pressure elevated the peak temperature,reaching a maximum of 1525.5K at an initial rotational speed of 2000 r/min and friction pressure of 400 MPa.The interface heat generation could form an axial temperature gradient exceeding 320K/mm.The radial inhomogeneities of heat generation and temperature were manifested in a concentric ring distribution with maximum heat flux and temperature ranging from 2/5 to 2/3 radius.The radial inhomogeneities were caused by increasing linear velocity along the radius and an opposite distribution of contact pressure,which could reach 1.7 times the set pressure at the center.The circumferential inhomogeneity of thermomechanical distribution during rotary friction welding was revealed for the first time,benefiting from the 3D model.The deflection and transformation of distribution in contact pressure and Mises stress were indicators of plastic deformation and transition of quasi-steady state welding.The critical Mises stress was 0.5 times the friction pressure in this study.The presented modeling provides a reliable insight into the thermo-mechanical coupling mechanism of IFW and lays a solid foundation for predicting the microstructures and mechanical properties of inertia friction welded joints. 展开更多
关键词 Inertia friction welding Thermo-mechanical coupling INHOMOGENEITY Numerical simulation Ni-based superalloy
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Changes in shale microstructure and fluid flow under high temperature:Experimental analysis and fluid-structure interaction simulation 被引量:1
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作者 Xiang-Ru Chen Xin Tang +4 位作者 Rui-Gang Zhang Heng Yang Qiu-Qi Chen Zhang-Ping Yan Lei Zhang 《Petroleum Science》 2025年第4期1699-1711,共13页
Oil shale is characterized by a dense structure,low proportion of pores and fissures,and low permeability.Pore-fracture systems serve as crucial channels for shale oil migration,directly influencing the production eff... Oil shale is characterized by a dense structure,low proportion of pores and fissures,and low permeability.Pore-fracture systems serve as crucial channels for shale oil migration,directly influencing the production efficiency of shale oil resources.Effectively stimulating oil shale reservoirs remains a challenging and active research topic.This investigation employed shale specimens obtained from the Longmaxi Formation.Scanning electron microscopy,fluid injection experiments,and fluid-structure interaction simulations were used to comprehensively analyze structural changes and fluid flow behavior under high temperatures from microscopic to macroscopic scales.Experimental results indicate that the temperature has little effect on the structure and permeability of shale before 300℃.However,there are two threshold temperatures within the range of 300 to 600℃that have significant effects on the structure and permeability of oil shale.The first threshold temperature is between 300 and 400℃,which causes the oil shale porosity,pore-fracture ratio,and permeability begin to increase.This is manifested by the decrease in micropores and mesopores,the increase in macropores,and the formation of a large number of isolated pores and fissures within the shale.The permeability increases but not significantly.The second threshold temperature is between 500 and 600℃,which increases the permeability of oil shale significantly.During this stage,micropores and mesopores are further reduced,and macropores are significantly enlarged.A large number of connected and penetrated pores and fissures are formed.More numerous and thicker streamlines appear inside the oil shale.The experimental results demonstrate that high temperatures significantly alter the microstructure and permeability of oil shale.At the same time,the experimental results can provide a reference for the research of in-situ heating techniques in oil shale reservoir transformation. 展开更多
关键词 High temperature treatment Oil shale Longmaxi Formation Fluidestructure interaction Fluid simulation
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An extended discontinuous deformation analysis for simulation of grouting reinforcement in a water-rich fractured rock tunnel 被引量:3
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作者 Jingyao Gao Siyu Peng +1 位作者 Guangqi Chen Hongyun Fan 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第1期168-186,共19页
Grouting has been the most effective approach to mitigate water inrush disasters in underground engineering due to its ability to plug groundwater and enhance rock strength.Nevertheless,there is a lack of potent numer... Grouting has been the most effective approach to mitigate water inrush disasters in underground engineering due to its ability to plug groundwater and enhance rock strength.Nevertheless,there is a lack of potent numerical tools for assessing the grouting effectiveness in water-rich fractured strata.In this study,the hydro-mechanical coupled discontinuous deformation analysis(HM-DDA)is inaugurally extended to simulate the grouting process in a water-rich discrete fracture network(DFN),including the slurry migration,fracture dilation,water plugging in a seepage field,and joint reinforcement after coagulation.To validate the capabilities of the developed method,several numerical examples are conducted incorporating the Newtonian fluid and Bingham slurry.The simulation results closely align with the analytical solutions.Additionally,a set of compression tests is conducted on the fresh and grouted rock specimens to verify the reinforcement method and calibrate the rational properties of reinforced joints.An engineering-scale model based on a real water inrush case of the Yonglian tunnel in a water-rich fractured zone has been established.The model demonstrates the effectiveness of grouting reinforcement in mitigating water inrush disaster.The results indicate that increased grouting pressure greatly affects the regulation of water outflow from the tunnel face and the prevention of rock detachment face after excavation. 展开更多
关键词 Discontinuous deformation analysis(DDA) Water-rich fractured rock tunnel Grouting reinforcement Water inrush disaster
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Analysis of Micromechanical Properties at the Interface of Pre-wet SBS Modified Asphalt Mixture Based on Molecular Simulation Technology
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作者 CHEN Wuxing CHEN Shuang +3 位作者 YU Yan ZHANG Jiangyi XU Haiyang GUO Wei 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2025年第1期103-113,共11页
The pre-wetting of aggregate surface is a means to improve the interface performance of SBS modified asphalt and aggregate.The effect of pre-wetting technology on the interaction between SBS modified asphalt and aggre... The pre-wetting of aggregate surface is a means to improve the interface performance of SBS modified asphalt and aggregate.The effect of pre-wetting technology on the interaction between SBS modified asphalt and aggregate was analyzed by molecular dynamics simulation.The diffusion coefficient and concentration distribution of SBS modified asphalt on aggregate surface are included.The simulation results show that the diffusion coefficient of the aggregate surface of SBS modified asphalt is increased by 47.6%and 70.5%respectively after 110#asphalt and 130#asphalt are pre-wetted.The concentration distribution of SBS modified asphalt on the aggregate surface after pre-wetting is more uniform.According to the results of interface energy calculation,the interface energy of SBS modified bitumen and aggregate can be increased by about 5%after pre-wetting.According to the results of molecular dynamics simulation,the pre-wetting technology can effectively improve the interface workability of SBS modified bitumen and aggregate,so as to improve the interface performance. 展开更多
关键词 pre-wet oil-stone interface interface interaction interface mechanics molecular dynamics simulation
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Landscape Stability Assessment and Simulation Analysis Under Urban Expansion:A Case Study of Hangzhou,China 被引量:2
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作者 PEI Hui ZHANG Lin +4 位作者 ZHOU Minli NIE Wenbin ZHOU Shihao SHI Yan PAN Jianyun 《Chinese Geographical Science》 2025年第2期311-325,共15页
In recent years,rapid urbanization has had a profound impact on landscape stability.As a typical example of China's rapid urbanization,Hangzhou has also experienced significant landscape changes,which have profoun... In recent years,rapid urbanization has had a profound impact on landscape stability.As a typical example of China's rapid urbanization,Hangzhou has also experienced significant landscape changes,which have profoundly affected its ecological stability.Taking Hangzhou as an example,this study integrates land use change data from 1980 to 2020,combines dynamic simulation and ecological modeling techniques,and carries out a comprehensive analysis of historical trends and future predictions,to provide valuable insights into the complex interactions between urban expansion and landscape stability.The results indicate that:1)between 1980 and2020,Hangzhou experienced a significant increase in construction land at the expense of arable land,leading to a gradual decline in landscape stability,though the downward trend has slowed in recent years.2)The spatial distribution of landscape stability shows clear aggregation patterns,with lower stability concentrated in economically active flatlands and higher stability in the mountainous western regions.3)By 2040,further urban expansion is predicted to occur alongside increased landscape integration,reflecting the positive effects of ecological protection strategies.This study highlights the universal challenges of balancing economic growth with ecological stability in rapidly urbanizing regions.The combination of advanced simulation models and spatiotemporal analysis demonstrates a replicable framework for assessing urban expansion's ecological impacts.These findings underscore the importance of tailoring urban planning and ecological policies to address regional disparities,providing valuable insights for sustainable urban development and landscape management globally. 展开更多
关键词 landscape stability stability index Future Land Use simulation(FLUS)model Hangzhou China
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Multi-target inhibition property of Persicaria hydropiper phytochemicals against gram-positive and gram-negative bacteria via molecular docking,dynamics simulation,and ADMET analysis 被引量:1
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作者 Golak Majumdar Shyamapada Mandal 《Digital Chinese Medicine》 2025年第1期76-89,共14页
Objective To evaluate the antibacterial potential of bioactive compounds from Persicaria hydropiper(L.)(P.hydropiper)against bacterial virulence proteins through molecular docking(MD)and experimental validation.Method... Objective To evaluate the antibacterial potential of bioactive compounds from Persicaria hydropiper(L.)(P.hydropiper)against bacterial virulence proteins through molecular docking(MD)and experimental validation.Methods Six bioactive compounds from P.hydropiper were investigated:catechin(CAT1),hyperin(HYP1),ombuin(OMB1),pinosylvin(PSV1),quercetin 3-sulfate(QSF1),and scutellarein(SCR1).Their binding affinities and potential binding pockets were assessed through MD against four bacterial target proteins with Protein Data Bank identifiers(PDB IDs):topoisomerase IV from Escherichia coli(E.coli)(PDB ID:3FV5),Staphylococcus aureus(S.aureus)gyrase ATPase binding domain(PDB ID:3U2K),CviR from Chromobacterium violaceum(C.violaceum)(PDB ID:3QP1),and glycosyl hydrolase from Pseudomonas aeruginosa(P.aeruginosa)(PDB ID:5BX9).Molecular dynamics simulations(MDS)were performed on the most promising compound-protein complexes for 50 nanoseconds(ns).Drug-likeness was evaluated using Lipinski's Rule of Five(RO5),followed by absorption,distribution,metabolism,excretion,and toxicity(ADMET)analysis using SwissADME and pkCSM web servers.Antibacterial activity was evaluated through disc diffusion assays,testing both individual compounds and combinations with conventional antibiotics[cefotaxime(CTX1,30μg/disc),ceftazidime(CAZ1,30μg/disc),and piperacillin(PIP1,100μg/disc)].Results MD revealed strong binding affinity(ranging from-9.3 to-5.9 kcal/mol)for all compounds,with CAT1 showing exceptional binding to 3QP1(-9.3 kcal/mol)and 5BX9(-8.4 kcal/mol).MDS confirmed the stability of CAT1-protein complexes with binding free energies of-84.71 kJ/mol(5BX9-CAT1)and-95.59 kJ/mol(3QP1-CAT1).Five compounds(CAT1,SCR1,PSV1,OMB1,and QSF1)complied with Lipinski's RO5 and showed favorable ADMET profiles.All compounds were non-carcinogenic,with CAT1 classified in the lowest toxicity class(VI).In antibacterial assays,CAT1 demonstrated significant activity against both gram-positive bacteria[Streptococcus pneumoniae(S.pneumoniae),S.aureus,and Bacillus cereus(B.cereus)][zone diameter of inhibition(ZDI):10-22 mm]and gram-negative bacteria[Acinetobacter baumannii(A.baumannii),E.coli,and P.aeruginosa](ZDI:14-27 mm).Synergistic effects were observed when CAT1 was combined with antibiotics and the growth inhibitory indices(GII)was 0.69-1.00.Conclusion P.hydropiper bioactive compounds,particularly CAT1,show promising antibacterial potential through multiple mechanisms,including direct inhibition of bacterial virulence proteins and synergistic activity with conventional antibiotics.The favorable pharmacological properties and low toxicity profiles support their potential development as therapeutic agents against bacterial infections. 展开更多
关键词 Persicaria hydropiper phytochemicals Molecular docking Molecular dynamics simulation Bacterial pathogenicity-related proteins PHARMACOKINETICS
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Research on a Simulation Platform for Typical Internal Corrosion Defects in Natural Gas Pipelines Based on Big Data Analysis
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作者 Changchao Qi Lingdi Fu +2 位作者 Ming Wen Hao Qian Shuai Zhao 《Structural Durability & Health Monitoring》 2025年第4期1073-1087,共15页
The accuracy and reliability of non-destructive testing(NDT)approaches in detecting interior corrosion problems are critical,yet research in this field is limited.This work describes a novel way to monitor the structu... The accuracy and reliability of non-destructive testing(NDT)approaches in detecting interior corrosion problems are critical,yet research in this field is limited.This work describes a novel way to monitor the structural integrity of steel gas pipelines that uses advanced numerical modeling techniques to anticipate fracture development and corrosion effects.The objective is to increase pipeline dependability and safety through more precise,real-time health evaluations.Compared to previous approaches,our solution provides higher accuracy in fault detection and quantification,making it ideal for pipeline integritymonitoring in real-world applications.To solve this issue,statistical analysis was conducted on the size and directional distribution features of about 380,000 sets of internal corrosion faults,as well as simulations of erosion and wear patterns on bent pipes.Using real defectmorphologies,we developed a modeling framework for typical interior corrosion flaws.We evaluated and validated the applicability and effectiveness of in-service inspection processes,as well as conducted on-site comparison tests.The results show that(1)the length and width of corrosion defects follow a log-normal distribution,the clock orientation follows a normal distribution,and the peak depth follows a Freundlich EX function distribution pattern;(2)pipeline corrosion defect data can be classified into three classes using the K-means clustering algorithm,allowing rapid and convenient acquisition of typical size and orientation characteristics of internal corrosion defects;(3)the applicability range and boundary conditions of various NDT techniques were verified,establishing comprehensive selection principles for internal corrosion defect detection technology;(4)on-site inspection results showed a 31%The simulation and validation platform for typical interior corrosion issues greatly enhances the accuracy and reliability of detection data. 展开更多
关键词 Internal corrosion non-destructive testing techniques cluster analysis defect simulation feature analysis typical defects
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Highly efficient contact detection strategy of 3D discontinuous deformation analysis in continuous-discontinuous simulation
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作者 Jingyu Kang Xiaodong Fu +5 位作者 Qian Sheng Xing Wang Haifeng Ding Xuehan Zhao Tian Xi Shangwei Jiang 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第11期6977-6992,共16页
Contact detection is the most time-consuming stage in 3D discontinuous deformation analysis(3D-DDA)computation.Improving the efficiency of 3D-DDA is beneficial for its application in large-scale computing.In this stud... Contact detection is the most time-consuming stage in 3D discontinuous deformation analysis(3D-DDA)computation.Improving the efficiency of 3D-DDA is beneficial for its application in large-scale computing.In this study,aiming at the continuous-discontinuous simulation of 3D-DDA,a highly efficient contact detection strategy is proposed.Firstly,the global direct search(GDS)method is integrated into the 3D-DDA framework to address intricate contact scenarios.Subsequently,all geometric elements,including blocks,faces,edges,and vertices are divided into searchable and unsearchable parts.Contacts between unsearchable geometric elements would be directly inherited,while only searchable geometric elements are involved in contact detection.This strategy significantly reduces the number of geometric elements involved in contact detection,thereby markedly enhancing the computation efficiency.Several examples are adopted to demonstrate the accuracy and efficiency of the improved 3D-DDA method.The rock pillars with different mesh sizes are simulated under self-weight.The deformation and stress are consistent with the analytical results,and the smaller the mesh size,the higher the accuracy.The maximum speedup ratio is 38.46 for this case.Furthermore,the Brazilian splitting test on the discs with different flaws is conducted.The results show that the failure pattern of the samples is consistent with the results obtained by other methods and experiments,and the maximum speedup ratio is 266.73.Finally,a large-scale impact test is performed,and approximately 3.2 times enhanced efficiency is obtained.The proposed contact detection strategy significantly improves efficiency when the rock has not completely failed,which is more suitable for continuous-discontinuous simulation. 展开更多
关键词 3D discontinuous deformation analysis Contact detection Computation efficiency Continuous-discontinuous simulation FRACTURE
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Factors affecting the perceived stress and anxiety of novice nursing students in high-fidelity simulation education:a secondary qualitative analysis of focus group interviews
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作者 Natalie Lee Po-man Alice Chan Mei-ling Florence Wong Mei-Fung 《Frontiers of Nursing》 2025年第3期325-332,共8页
Objective:To gain insight into the potential factors that may cause perceived stress and anxiety in simulation education.Methods:A secondary qualitative analysis study using qualitative thematic synthesis.A local high... Objective:To gain insight into the potential factors that may cause perceived stress and anxiety in simulation education.Methods:A secondary qualitative analysis study using qualitative thematic synthesis.A local higher education institution that conducted pre-registration nursing programs.A total of 189 undergraduate nursing students that were never attained any clinical placement prior to the parent study.Focus group interviews were conducted to collect data that were then transcribed and analyzed through the qualitative thematic synthesis approach to develop themes.Results:Three themes were emerged from the participants’simulation experiences in terms of peoples(the observers vs the observed),actions(the prepared vs the unprepared),and settings(the realism vs the simulation).Conclusions:By considering and reviewing the current design and development of the simulation practice,the findings of this study contribute to the body of knowledge with valuable insights on stress and anxiety that may affect students’learning in simulation. 展开更多
关键词 high-fidelity simulation novice nursing students perceived anxiety perceived stress secondary qualitative analysis simulation-based education
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Numerical Simulation and Analysis of Heat Treatment Processes on AISI 1025 Steel Produced by Laser Engineered Net Shaping
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作者 Elphas Tum Rehema Ndeda +3 位作者 James Mutua Raghupatruni Prasad Eyitao Olakanmi Sisa Pityana 《Modeling and Numerical Simulation of Material Science》 2025年第1期1-15,共15页
Heat treatment processes, such as annealing and quenching, are crucial in determining residual stress evolution, microstructural changes and mechanical properties of metallic materials, with residual stresses playing ... Heat treatment processes, such as annealing and quenching, are crucial in determining residual stress evolution, microstructural changes and mechanical properties of metallic materials, with residual stresses playing a greater role in the performance of components. This paper investigates the effect of heat treatment on residual stresses induced in AISI 1025, manufactured using LENS. Finite element model was developed and simulated to analyze residual stress development. AISI 1025 samples suitable for tool and die applications in Fused Deposition Modelling (FDM) filament production, were fabricated using Laser Engineered Net Shaping (LENS) process, followed by heat treatment where annealing and quenching processes were done. The material’s microstructure, residual stress and hardness of heat-treated samples under investigation, were compared against the as-built samples. The results indicated that after annealing, tensile residual stresses were reduced by 93%, resulting in a reduced crack growth rate, compared to the as-built sample, although the hardness was reduced significantly by 25%. On the other hand, high tensile residual stresses of 425 ± 14 MPa were recorded after quenching process with an improvement of hardness by 21%. 展开更多
关键词 Heat Treatment Residual Stresses HARDNESS Microstructure Numerical simulation
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基于SolidWorks Flow Simulation的调节阀流场模拟与固有流量特性研究 被引量:1
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作者 李庆 范文瀚 《阀门》 2026年第2期212-218,共7页
调节阀开度与流量特性直接影响工业过程的控制精度,流量系数C_(v)是评价其流通性能的核心指标。以DN100、CL150、可调比R=50的单座调节阀为对象,采用SolidWorks Flow Simulation构建三维流场模型,对10%~100%开度区间的阀门开展数值模拟... 调节阀开度与流量特性直接影响工业过程的控制精度,流量系数C_(v)是评价其流通性能的核心指标。以DN100、CL150、可调比R=50的单座调节阀为对象,采用SolidWorks Flow Simulation构建三维流场模型,对10%~100%开度区间的阀门开展数值模拟,通过模型简化、节流区网格加密与规范边界条件获取速度场、压力场分布;网格独立性验证表明,中等密度网格的C_(v)计算偏差小于3%,满足工程精度。恒定压差下提取各开度下的稳态流量并计算C_(v),结果显示C_(v)呈等百分比增长,小开度增长平缓、中大开度增速加快,与节流机理一致;仿真结果与R=50理论等百分比曲线在多数开度区间吻合,验证了方法的可靠性。该仿真方法为调节阀设计优化、流量特性预测与性能评估提供了有效支撑。 展开更多
关键词 单座调节阀 流量系数C_(v) CFD数值模拟 等百分比特性 SolidWorks Flow simulation
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Simulation of the Specific Contributions of Molecular Weight,Orientation Degree,and Crystallinity to the Tensile Mechanics of Polyethylene Fibers 被引量:1
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作者 Tian-Hao Yang Jing-Han Wu +4 位作者 Ming-Ming Ding Wen Zhai Ke Wang Qiang Fu Yang Liu 《Chinese Journal of Polymer Science》 2026年第2期560-575,I0018,共17页
UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechani... UHMWPE fibers exhibit impressive modulus and strength,but they have not reached their theoretical limits.Researchers focus on molecular weight,orientation,and crystallinity of UHMWPE,yet their contributions to mechanical properties are unclear.Molecular dynamics simulations are valuable but often limited by computational constraints.Our aim is to simulate higher molecular weights to better represent real UHMWPE fibers.We used Packmol and Polyply methodologies to construct PE systems,with Polyply reproducing more reasonable properties of UHMWPE fibers.Additionally,tensile simulations showed that orientation and crystallinity greatly impact Young's modulus more than molecular weight.Energy decomposition indicated that higher molecular weights lead to covalent bonds that can withstand more energy during stretching,thus increasing breaking strength.Combining simulations with machine learning,we found that orientation has the most significant impact on Young's modulus,contributing 60%,and molecular weight plays the most crucial role in determining the breaking strength,accounting for 65%.This study provides a theoretical basis and guidelines for enhancing UHMWPE's modulus and strength. 展开更多
关键词 Molecular dynamics simulation Polyethylene fiber Mechanical properties
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