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Numerical calculation method of virtual nodes in complex structural composites: mechanical properties characterization and numerical simulation of combined Wbraid/Al/Epoxy functional structural materials
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作者 Zhenhui He Enling Tang +3 位作者 Zhe Zhai Wenjin Yao Ruizhi Wang Yafei Han 《Defence Technology(防务技术)》 2026年第3期149-165,共17页
Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, w... Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, while neural networks struggle to represent underlying microscopic material properties. To overcome these challenges, a meso-micro scale numerical method using a virtual node approach is developed in this study. A Wbraid/Al/Epoxy functional structural material is fabricated, and a representative periodic unit cell is identified based on its architecture. The complex structure is then discretized into nodes, and mechanical interactions are governed by pre-defined computation rules. This virtual node method is systematically compared against both multiscale simulation and a neural network algorithm, with validation provided through mechanical experiments. The results demonstrate that the nodal operation strategy significantly reduces computational resource requirements. By quantifying microscopic bonding with coefficients, explicit interface treatment is avoided, granting the method strong adaptability to lattice materials. The method can simulate extremely complex structures using parameters from simple tests and is suited for large systems. Compared to three-point bending experiments, errors for multiscale, virtual node, and neural network methods were 12.4%, 6.9%, and 34.5%, respectively. Under dynamic compression, the errors were 2.7%, 9.3%, and 15.43%. The virtual node method demonstrated superior accuracy under static conditions, enabling efficient prediction and auxiliary development of complex structural materials. 展开更多
关键词 Functional composites Complex structure Meso-micro scale Virtual node calculation method numerical simulation
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Machine learning-based investigation of uplift resistance in special-shaped shield tunnels using numerical finite element modeling 被引量:1
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作者 ZHANG Wengang YE Wenyu +2 位作者 SUN Weixin LIU Zhicheng LI Zhengchuan 《土木与环境工程学报(中英文)》 北大核心 2026年第1期1-13,共13页
The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combi... The uplift resistance of the soil overlying shield tunnels significantly impacts their anti-floating stability.However,research on uplift resistance concerning special-shaped shield tunnels is limited.This study combines numerical simulation with machine learning techniques to explore this issue.It presents a summary of special-shaped tunnel geometries and introduces a shape coefficient.Through the finite element software,Plaxis3D,the study simulates six key parameters—shape coefficient,burial depth ratio,tunnel’s longest horizontal length,internal friction angle,cohesion,and soil submerged bulk density—that impact uplift resistance across different conditions.Employing XGBoost and ANN methods,the feature importance of each parameter was analyzed based on the numerical simulation results.The findings demonstrate that a tunnel shape more closely resembling a circle leads to reduced uplift resistance in the overlying soil,whereas other parameters exhibit the contrary effects.Furthermore,the study reveals a diminishing trend in the feature importance of buried depth ratio,internal friction angle,tunnel longest horizontal length,cohesion,soil submerged bulk density,and shape coefficient in influencing uplift resistance. 展开更多
关键词 special-shaped tunnel shield tunnel uplift resistance numerical simulation machine learning
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Hazard Analysis of Dam Corridor Cracks Based on Field Detection and Numerical Calculation
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作者 Jiacheng Li Liangkun Gong +3 位作者 Yuxiang Li Jialiang Qian Weiyu Wu Weiran Lu 《Journal of World Architecture》 2025年第1期32-39,共8页
The longitudinal cracks distributed along the dam axis in the corridor of a dam may have potential safety hazards.According to the detection results of crack depth and width and the analysis of monitoring data,a three... The longitudinal cracks distributed along the dam axis in the corridor of a dam may have potential safety hazards.According to the detection results of crack depth and width and the analysis of monitoring data,a three-dimensional finite element model is established for numerical simulation calculation and the influence of cracks on the safety of dam structure is analyzed from different aspects such as deformation,stress value,and distribution range.The calculation results show that the maximum principal tensile stress value and the location of the dam body are basically independent of the change of crack depth(within 1.0 m).Regarding local stress around the corridor,the high upstream water level causes cracks to deepen,resulting in an increase in the maximum tensile stress near the crack tip and an expansion of the tensile stress region. 展开更多
关键词 Gallery cracks Field test Finite element calculation Hazard analysis
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Study on the adsorptive denitrification performance of MIL-101(Cr) and its theoretical calculation
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作者 QIN Yue TANG Ke +3 位作者 HONG Xin WANG Han SHEN Shuo CHEN Jinghui 《燃料化学学报(中英文)》 北大核心 2026年第2期180-192,共13页
The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorp... The adsorptive denitrification performance of MIL-101(Cr)-0.5 toward pyridine,aniline or quinoline in simulated fuels with basic nitrogen content of 1732μg/g was evaluated separately.Furthermore,the effects of adsorption temperature,adsorption time and adsorbent dosage on their adsorptive denitrification performance were systematically investigated.The experimental results demonstrated that under a fixed adsorbent dosage of 0.05 g and a simulated fuel volume of 10 mL,the optimal removal efficiency for aniline was achieved at 30℃ within 30 min,whereas higher temperatures and longer times(40℃and 40 min)were required for effective removal of pyridine and quinoline.Density Functional Theory(DFT)calculations were conducted via Materials Studio(MS)software to study the adsorptive denitrification mechanism of MIL-101(Cr)toward these three basic nitrogen-containing compounds.The simulation calculation results revealed that the interaction between pyridine and MIL-101(Cr)primarily involved coordination adsorption.In contrast,the interaction between aniline or quinoline and MIL-101(Cr)proceeded mainly through coordination,with additional contributions fromπ-complexation and hydrogen bonding.The overall adsorption strength order is pyridine>aniline>quinoline.During the adsorption process,pyridine and quinoline transfer electrons to the MIL-101(Cr)surface through the H→C→N→Cr^(3+)pathway,while aniline transfers electrons to the MIL-101(Cr)surface through various pathways,including N→Cr^(3+),N→C→Cr^(3+)and N→H→O.Furthermore,adsorption kinetics studies indicated that the adsorption processes for all three basic nitrogen-containing compounds followed the quasi second order kinetic models.The experimental results on the effect of benzene on the adsorptive denitrification performance of MIL-101(Cr)-0.5 demonstrated that benzene exerted a more significant impact on the adsorption of aniline and quinoline.Finally,the adsorbent was regenerated using ethanol washing.It was found that MIL-101(Cr)-0.5 retained stable denitrification performance after two regeneration cycles. 展开更多
关键词 MIL-101(Cr) adsorptive denitrification competitive adsorption regeneration performance simulation calculation
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Numerical Simulation on Thermomechanical Coupling Process in Friction Stir-Assisted Wire Arc Additive Manufacturing
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作者 Li Long Xiao Yichen +2 位作者 Shi Lei Chen Ji Wu Chuansong 《稀有金属材料与工程》 北大核心 2026年第1期1-8,共8页
Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing addit... Wire arc additive manufacturing(WAAM)has emerged as a promising approach for fabricating large-scale components.However,conventional WAAM still faces challenges in optimizing microstructural evolution,minimizing additive-induced defects,and alleviating residual stress and deformation,all of which are critical for enhancing the mechanical performance of the manufactured parts.Integrating interlayer friction stir processing(FSP)into WAAM significantly enhances the quality of deposited materials.However,numerical simulation research focusing on elucidating the associated thermomechanical coupling mechanisms remains insufficient.A comprehensive numerical model was developed to simulate the thermomechanical coupling behavior in friction stir-assisted WAAM.The influence of post-deposition FSP on the coupled thermomechanical response of the WAAM process was analyzed quantitatively.Moreover,the residual stress distribution and deformation behavior under both single-layer and multilayer deposition conditions were investigated.Thermal analysis of different deposition layers in WAAM and friction stir-assisted WAAM was conducted.Results show that subsequent layer deposition induces partial remelting of the previously solidified layer,whereas FSP does not cause such remelting.Furthermore,thermal stress and deformation analysis confirm that interlayer FSP effectively mitigates residual stresses and distortion in WAAM components,thereby improving their structural integrity and mechanical properties. 展开更多
关键词 friction stir processing wire arc additive manufacturing numerical simulation thermomechanical coupling temperature field DEFORMATION
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Numerical Study of Burden Effects on Rock Breakage in Single-Hole Bench Blasting
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作者 Kai Rong Zong-Xian Zhang Li-Yuan Chi 《Computer Modeling in Engineering & Sciences》 2026年第3期416-440,共25页
Burden is one of the main parameters in blast design.However,field tests,either single-or multi-hole blasts,used to determine an appropriate burden,are difficult to capture crack propagation,evolution of breakage angl... Burden is one of the main parameters in blast design.However,field tests,either single-or multi-hole blasts,used to determine an appropriate burden,are difficult to capture crack propagation,evolution of breakage angle,and the mechanism governing these processes in the rock.In this study,a single-hole bench blasting model is developed using LS-DYNA software to comprehensively investigate the relationship between burden and rock breakage.The simulation results show that the breakage angle decreases with the increase in burden,and the blasted volume reaches a peak value with a burden of 4 m.Meanwhile,backbreak distance increases with increasing burden.The optimum burden in this simulation is found to be 4.0 m,as the ratio of burden to blasthole diameter is equal to 20.62 and the ratio of burden to bench height is 0.44,based on a comprehensive analysis of the blasted volume,average damage,and total damage.Under the optimum burden condition,tensile stress wave regions are simultaneously generated at the free surfaces of both the bench top and bench slope,allowing more effective utilization of the two free surfaces and resulting in a more uniform damage distribution within the burden region. 展开更多
关键词 numerical simulation bench blasting BURDEN damage distribution
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Numerical Study on the Correlation Between Underwater Radiated Noise and Wake Evolution of a Rim-Driven Thruster
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作者 Jie Gong Zhongwan Wu 《哈尔滨工程大学学报(英文版)》 2026年第1期15-31,共17页
In this investigation,a hybrid approach integrating the IDDES turbulence model and FW-H is employed to forecast the hydroacoustic of the rim driven thruster(RDT)under non-cavitation and uniform flow conditions at vary... In this investigation,a hybrid approach integrating the IDDES turbulence model and FW-H is employed to forecast the hydroacoustic of the rim driven thruster(RDT)under non-cavitation and uniform flow conditions at varying loading conditions(J=0.3 and J=0.6).It is revealed that the quadrupole term contribution in the P-FWH method significantly affects the monopole term in the low-frequency region,while it mainly affects the dipole term in the high-frequency region.Specifically,the overall sound pressure levels(SPL)of the RDT using the P-FWH method are 2.27 dB,10.03 dB,and 16.73 dB at the receiving points from R1 to R3 under the heavy-loaded condition,while they increase by 0.67 dB at R1,and decrease by 14.93 dB at R2,and 22.20 dB at R3,for the light-loaded condition.The study also utilizes the pressure-time derivatives to visualize the numerical noise and to pinpoint the dynamics of the vortex cores,and the optimization of the grid design can significantly reduce the numerical noise.The computational accuracy of the P-FWH method can meet the noise requirements for the preliminary design of rim driven thrusters. 展开更多
关键词 Rim-driven thruster HYDRODYNAMICS Underwater radiated noise Non-cavitation numerical noise
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SNMR with short pulses:Optimizing the kernel calculation by considering the influence of pulse shape and phase
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作者 Tobias Splith Thomas Hiller +1 位作者 Stephan Costabel Mike Müller-Petke 《Magnetic Resonance Letters》 2026年第1期43-52,共10页
In the past few years,efforts have been made to extend the sensitivity of surface nuclear magnetic resonance(SNMR)to short relaxation times,typical for strongly bound water,which,for example,occurs in partially satura... In the past few years,efforts have been made to extend the sensitivity of surface nuclear magnetic resonance(SNMR)to short relaxation times,typical for strongly bound water,which,for example,occurs in partially saturated soils.The two limiting factors for the sensitivity are the dead time after the excitation pulse and the duration of the pulse itself.To enable short pulses,while also achieving proper depths of investigation,high pulse amplitudes are needed.This makes it necessary to consider the Bloch-Siegert effect,i.e.the counter-rotating component and the parallel component of the excitation field have significant influence on the excitation.If an untuned transmitter circuit is used,the pulse shape will also be non-sinusoidal.In this paper,we demonstrate that this influences SNMR measurements with short pulses in two ways:On one hand,the pulse shape influences the phase of the fundamental frequency oscillation.On the other,at very high pulse amplitudes,other frequency components of the excitation field start to influence the excitation.The behavior of the macroscopic magnetizations in the subsurface during the pulse is simulated by solving the Bloch equations,using the pulse shape as an input.Since these calculations are computational expensive,we propose a lookup scheme that allows a time efficient modeling of the obtained SNMR data. 展开更多
关键词 Surface NMR Pulse shape numerical modeling Bloch-Siegert effect
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Multiscale Theoretical Calculations Empower Robust Electric Double Layer Toward Highly Reversible Zinc Anode
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作者 Yufan Xia Zhen Luo +6 位作者 Shuang Chen Yang Xiang Gao Weng Hongge Pan Ben Bin Xu Mi Yan Yinzhu Jiang 《Nano-Micro Letters》 2026年第3期406-427,共22页
The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter per... The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter persistent dendrite growth and parasitic reactions,driven by the inhomogeneous charge distribution and water-dominated environment within the EDL.Compounding this,classical EDL theory,rooted in meanfield approximations,further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions,limiting mechanistic insights.Herein,we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution,revealing the EDL’s structure and interactions between different ions and molecules,which helps us understand the parasitic processes in depth.Simulations demonstrate that water dipole and sulfate ion adsorption at the inner Helmholtz plane drives severe hydrogen evolution and by-product formation.Guided by these insights,we engineered a“water-poor and anion-expelled”EDL using 4,1’,6’-trichlorogalactosucrose(TGS)as an electrolyte additive.As a result,Zn||Zn symmetric cells with TGS exhibited stable cycling for over 4700 h under a current density of 1 mA cm^(−2),while NaV_(3)O_(8)·1.5H_(2)O-based full cells kept 90.4%of the initial specific capacity after 800 cycles at 5 A g^(−1).This work highlights the power of multiscale theoretical frameworks to unravel EDL complexities and guide high-performance ARZB design through integrated theory-experiment approaches. 展开更多
关键词 Zn anode Theoretical calculations Electric double layers Aqueous rechargeable zinc batteries
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Study on Numerical Simulation about Motion Trajectory of Ice Crystal Particles under Different Injection Conditions in Wind Tunnel
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作者 Zhaokun Ren Yue Zhang +2 位作者 Yunxiang Wang Zhanyuan Ma Chen Bu 《Journal of Harbin Institute of Technology(New Series)》 2026年第1期51-68,共18页
Ice crystal icing is an important cause of accidents in aircraft engines.Ice formation in aircraft engines can cause internal blades to freeze,affecting the quality of the air flow field and blocking the flow path.On ... Ice crystal icing is an important cause of accidents in aircraft engines.Ice formation in aircraft engines can cause internal blades to freeze,affecting the quality of the air flow field and blocking the flow path.On the other hand,the entry of ice crystal particles into the combustion chamber can cause a decrease in temperature or even flameout,leading to engine surge or shutdown.Therefore,it is necessary to conduct multiphase flow tests on ice crystals for aircraft components such as aircraft engines.Conducting ice crystal multiphase flow tests on aircraft is an effective research method,but it requires the construction of an ice crystal multiphase flow test platform that meets relevant technical requirements.The paper focuses on the relevant experimental requirements and combines wind tunnel test structures to conduct multiphase flow numerical simulations on various forms of jet pipelines,obtaining particle motion distribution results.After comparison,the optimal form of jet structure is obtained,providing the best selection scheme for the design of relevant wind tunnel structures. 展开更多
关键词 ice crystal wind tunnel numerical simulation multiphase flow jet pipelines
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Ab initio calculations of isomers in nuclei near the magic number N=50
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作者 S Q Fan Q Yuan +3 位作者 R Z Hu S L Jin J H Hou F R Xu 《Communications in Theoretical Physics》 2026年第2期44-52,共9页
The study of nuclear isomers can deepen our understanding of nuclear structure and astrophysics.In this work,we have performed the ab initio calculations of isomers in the N=49 isotones.With a chiral two-plus three-nu... The study of nuclear isomers can deepen our understanding of nuclear structure and astrophysics.In this work,we have performed the ab initio calculations of isomers in the N=49 isotones.With a chiral two-plus three-nucleon force,the valence-space effective Hamiltonian was derived using the ab initio many-body perturbation theory named Q-box folded diagrams.The effective operators of electromagnetic operators andβ-decay were obtained using ■-box folded diagrams.With the effective Hamiltonian and operators,we studied the properties of the isomers,gaining a microscopic understanding of the single-particle behaviour of the isomers which we are interested in,showing the reliability of the ab initio calculations. 展开更多
关键词 Ab initio calculations ISOMERISM chiral two-plus three-nucleon force beta decay electromagnetic transitions
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Thermodynamic performance calculation and test verification of gas-liquid two-phase water ramjet engine
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作者 Pingan LIU Dianlong SUN +4 位作者 Xile QIAN Shang LIU Tao WANG Jingtao CHENG Kejing XU 《Chinese Journal of Aeronautics》 2026年第1期1-17,共17页
Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can sig... Underwater gas-liquid two-phase propulsion technology is an emerging propulsion method that offers high efficiency and unrestricted navigation speed.The integration of this technology into water ramjet engines can significantly enhance propulsion efficiency and holds substantial potential for broad applications.However,forming a gas-liquid two-phase flow within the nozzle requires introducing a large amount of rammed seawater.At this time,there is a complex phase transition problem of combustion products in the combustion chamber,which makes the thermodynamic calculation for gas-liquid two-phase water ramjet engines particularly challenging.This paper proposes a thermodynamic calculation method for gas-liquid two-phase water ramjet engines,based on the energy equation for gas-liquid two-phase flow and traditional thermodynamic principles,enabling thermodynamic calculations under conditions of ultra-high water-fuel ratios.Additionally,ground ignition tests of the gas-liquid two-phase engine were conducted,yielding critical engine test parameters.The results demonstrate that the gas-liquid two-phase water ramjet engine achieves a high specific impulse,with a theoretical maximum specific impulse of up to 7000(N s)/kg.The multiphase flow effects significantly impact engine performance,with specific impulse losses reaching up to 25.86%.The error between the thrust and specific impulse in the ground test and the theoretical values is within 10%,validating the proposed thermodynamic calculation method as a reliable reference for further research on gas-liquid two-phase water ramjet engines. 展开更多
关键词 Gas-liquid two-phase flow Ignition test Multiphase flow Thermal calculation Water ramjet engine
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Numerical model for rapid prediction of temperature field, mushy zone and grain size in heating−cooling combined mold (HCCM) horizontal continuous casting of C70250 alloy plates
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作者 Ling-hui MENG Fan ZHAO +3 位作者 Dong LIU Chang-jian LU Yan-bin JIANG Xin-hua LIU 《Transactions of Nonferrous Metals Society of China》 2026年第1期203-217,共15页
Machine learning-assisted methods for rapid and accurate prediction of temperature field,mushy zone,and grain size were proposed for the heating−cooling combined mold(HCCM)horizontal continuous casting of C70250 alloy... Machine learning-assisted methods for rapid and accurate prediction of temperature field,mushy zone,and grain size were proposed for the heating−cooling combined mold(HCCM)horizontal continuous casting of C70250 alloy plates.First,finite element simulations of casting processes were carried out with various parameters to build a dataset.Subsequently,different machine learning algorithms were employed to achieve high precision in predicting temperature fields,mushy zone locations,mushy zone inclination angle,and billet grain size.Finally,the process parameters were quickly optimized using a strategy consisting of random generation,prediction,and screening,allowing the mushy zone to be controlled to the desired target.The optimized parameters are 1234℃for heating mold temperature,47 mm/min for casting speed,and 10 L/min for cooling water flow rate.The optimized mushy zone is located in the middle of the second heat insulation section and has an inclination angle of roughly 7°. 展开更多
关键词 Cu alloy numerical simulation machine learning prediction model process optimization
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Numerical Determination of Weak Adhesive Bonds Using Ultrasonic Guided Waves
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作者 EgidijusŽukauskas Damira Smagulova Elena Jasiūnienė 《Computer Modeling in Engineering & Sciences》 2026年第3期289-303,共15页
Adhesively bonded joints are widely used in modern lightweight structures due to their high strengthto-weight ratio and design flexibility.However,the reliable non-destructive evaluation of bond integrity remains a si... Adhesively bonded joints are widely used in modern lightweight structures due to their high strengthto-weight ratio and design flexibility.However,the reliable non-destructive evaluation of bond integrity remains a significant challenge.This study presents a numerical investigation of adhesively bonded joints with different adhesive properties using ultrasonic guided waves.The main focus of the investigation is to evaluate the feasibility of using guided waves to assess bond integrity,particularly for detecting challenging weak bonds.For this purpose,a theoretical analysis of dispersion curves was conducted,revealing that the S0 Lamb wave mode is significantly sensitive to variations in adhesive properties in the 300-700 kHz frequency range.Finite element modelling was used to analyse the propagation of guided waves in two scenarios:an adhesively bonded aluminum structure and a more complex configuration-adhesively bonded lap joints.The Short-Time Fourier Transform(STFT)was used to process the obtained results and determine the group velocities of guided waves.By analysing the group velocity characteristics,their dependence on the adhesive properties was identified.In the first scenario,a clear separation of S0 modes from A0 modes was observed in the STFT analysis,with a decrease in group velocity as adhesive stiffness increased.For the more complex lap joint scenario,the separation between A0 and S0 modes was less distinct.However,the analysis of the average group velocity shows a dependence of average group velocity on adhesive properties.This is similar to the first scenario.There is a decrease in average group velocity as adhesive stiffness increases.The results obtained demonstrate that guided wavebased methods have a high potential for non-destructive evaluation of adhesively bonded structures,including the detection of weak bonds. 展开更多
关键词 Adhesive joints weak bonds Lamb waves ultrasonic testing numerical investigation
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Investigation of equivalent strength parameters of soil-rock mixture using numerical manifold method
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作者 Junfeng Li Yongtao Yang +2 位作者 Yang Xia Hong Zheng Shuilin Wang 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第1期637-650,共14页
As binary geological media,soil-rock mixtures(SRMs)exhibit a distinct gradational composition,leading to their unique mechanical behaviors.To appraise the stability of SRM slopes,it is essential to determine equivalen... As binary geological media,soil-rock mixtures(SRMs)exhibit a distinct gradational composition,leading to their unique mechanical behaviors.To appraise the stability of SRM slopes,it is essential to determine equivalent parameters of SRMs,which are typically obtained through experimental and numerical methods.In contrasted to other numerical methods,the numerical manifold method(NMM)is more effective in addressing SRM problems.This is because the high-precision regular mathematical meshes in NMM can be used without aligning with the soil-rock interfaces and boundaries of SRMs.In the current research,the equivalent strength parameters of SRMs,i.e.the equivalent cohesion ce and internal friction angleϕ_(e),are determined using NMM.Initially,an NMM triaxial numerical model is established and validated based on triaxial experiments.Subsequently,the soil and rock parameters are derived through parameter inversion.Moreover,the impacts of rock content,size,shape and rock blocks'major-axis orientation on ce andϕ_(e) of SRMs are thoroughly examined using the NMM triaxial numerical model.Additionally,a fitting function is proposed to linkϕ_(e) to the rock content and size of SRMs.When other influencing factors are fixed,the above fitting model leads to the following conclusions:(1)the predictedϕ_(e) of SRMs increase with the increase of rock content;and(2)SRM samples with smaller rocks display a higher predictedϕ_(e). 展开更多
关键词 Soil-rock mixtures Equivalent strength parameters numerical manifold method
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Cocrystal engineering for efficient separation of 4-bromo-3-methylphenol:Design of experiments,characterization,crystal structure and calculation
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作者 Chunxiao Wang Shuai Wang +2 位作者 Hongsen Zhang Chao Li Renzhong Qiao 《Chinese Journal of Chemical Engineering》 2026年第1期83-92,共10页
4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial... 4-Bromo-3-methylphenol(BMP)is an important chemical intermediate with wide applications in the fields of medicine and pesticides.The synthesis of BMP from m-cresol via bromination is easy to carry out on an industrial scale.However,due to the formation of regioisomeric impurities during bromination and the low melting point of BMP,the separation process is prone to the formation of oily substances,resulting in low yield and purity.In this work,a new cocrystallization engineering approach was proposed to separate and purify BMP.Through design of experiments,the cocrystallization process of BMP and triethylenediamine(DABCO)was optimized using a minimum-run resolution IV screening design combined with response surface methodology.In addition,the obtained 2BMP-DABCO powder was characterized by thermal analysis,powder X-ray diffraction,infrared spectroscopy,and scanning electron microscopy.Single crystals of 2BMP-DABCO were grown from acetone by slow evaporation,and detailed structural information was obtained through single-crystal X-ray diffraction.The self-assembly mechanism was further clarified by density functional theory calculations.This study provides a simple,robust,and scalable method for the production of BMP and offers a reference for the separation and purification of phenolic substances. 展开更多
关键词 4-Bromo-3-methylphenol TRIETHYLENEDIAMINE Cocrystallization engineering Design of experiments Crystal structure calculationS
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Numerical simulation of multicomponent hydrocarbon flow and heat transfer in a regenerative catalytic oxidizer
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作者 Yujie Kang Guangrun Yang +4 位作者 Jingxiao Wang Zhongjie Shen Jianliang Xu Zhenghua Dai Haifeng Liu 《Chinese Journal of Chemical Engineering》 2026年第1期145-156,共12页
Regenerative catalytic oxidizers(RCO)are widely used to remove volatile organic compounds(VOCs)due to their energy-saving and stability.In this study,a multi-component catalytic reaction model was constructed to numer... Regenerative catalytic oxidizers(RCO)are widely used to remove volatile organic compounds(VOCs)due to their energy-saving and stability.In this study,a multi-component catalytic reaction model was constructed to numerically investigate the reaction process of hydrocarbon-containing VOCs in RCO using computational fluid dynamics(CFD)simulation.To obtain the conversion characteristics of multi-component hydrocarbons,the effects of intake load,equivalence ratio,and the composition of multi-component hydrocarbons on the flow,heat transfer,and conversion rate of the reactor were analyzed.A feasibility study plan targeting the hard-to-convert components was also proposed.The results indicated that as the load increases,the conversion rates of the various components decrease,while the reaction rates increase.Moreover,increasing the flow velocity intensifies turbulence and enhances the collision frequency between the gas and the wall surfaces.This,in turn,amplifies the resistance effect of the porous medium.As the equivalence ratio of VOCs to oxygen increases,the oxygen-deficient condition leads to a decrease in the molecular weight of the hydrocarbons involved in the reaction.The reaction temperature also shows a downward trend.A comparative analysis of the catalytic combustion characteristics of multi-component VOCs and single-component gases reveals that adding ethane and propane can facilitate methane oxidation. 展开更多
关键词 Volatile organic compounds Regenerative catalytic oxidizer Catalysis numerical simulation ALKANE Heat transfer
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Prenatal exposure to bisphenols,metals,and risk of fetal chromosome numerical abnormalities in high-risk pregnancies:Independent,combined,and interactive effects
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作者 Jinglin Li Mengli Yang +8 位作者 Jingting Chen Dan Wang Hongyue Sun Zinuo Wang Xiaoyu Li Ying Chang Baoqin Huang Xi Chen Nai-jun Tang 《Journal of Environmental Sciences》 2026年第2期51-59,共9页
Prenatal exposure to bisphenols and metals has raised significant concerns regarding their potential impact on fetal development,particularly the risk of fetal chromosome numerical abnormalities(CNA).In this case-cont... Prenatal exposure to bisphenols and metals has raised significant concerns regarding their potential impact on fetal development,particularly the risk of fetal chromosome numerical abnormalities(CNA).In this case-control study,we analyzed bisphenol and metal concentrations in amniotic fluid of high-risk pregnant women undergoing amniocentesis.Concentrations of bisphenols and metals were measured using ultra-performance liquid chromatography-tandem mass spectrometry and inductively coupled plasma-mass spectrometry,respectively.Logistic regression and quantile-based g-computation were applied to evaluate individual and combined effects,while dose-response relationships were assessed using restricted cubic splines.Our findings indicated that bisphenol S(BPS),bisphenol Z(BPZ),bisphenol AF(BPAF),antimony(Sb),and vanadium(V)were significantly associated with an increased risk of CNA when analyzed individually,whereas manganese,iron,copper(Cu),nickel(Ni),and zinc(Zn)were significantly and inversely associated with CNA risk.Combined exposure to bisphenol and metal mixtures was associated with an increased risk of CNA in multi-pollutant models.Cu and Ni exhibited a positive additive interaction.Furthermore,BPS,BPZ,and BPAF were individually associated with an increased risk of Down syndrome,while Zn was associated with a decreased risk of Down syndrome.BPS,Sb,V,and Zn were individually associated with an increased risk of Klinefelter syndrome.These findings underscore the potential role of prenatal bisphenol and metal exposure in the pathogenesis of fetal CNA,highlighting both additive and synergistic effects. 展开更多
关键词 BISPHENOL Metal Chromosome numerical abnormalities High-risk pregnant women Down syndrome Klinefelter syndrome
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Numerical Simulation of Cross-Layer Propagation Mechanisms for Hydraulic Fractures in Deep Coal-Rock Formations
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作者 Zhirong Jin Xiaorui Hou +4 位作者 Yanrong Ge Tiankui Guo Ming Chen Shuyi Li Tianyu Niu 《Energy Engineering》 2026年第2期369-391,共23页
Hydraulic fracturing serves as a critical technology for reservoir stimulation in deep coalbed methane(CBM)development,where the mechanical properties of gangue layers exert a significant control on fracture propagati... Hydraulic fracturing serves as a critical technology for reservoir stimulation in deep coalbed methane(CBM)development,where the mechanical properties of gangue layers exert a significant control on fracture propagation behavior.To address the unclear mechanisms governing fracture penetration across coal-gangue interfaces,this study employs the Continuum-Discontinuum Element Method(CDEM)to simulate and analyze the vertical propagation of hydraulic fractures initiating within coal seams,based on geomechanical parameters derived from the deep Benxi Formation coal seams in the southeastern Ordos Basin.The investigation systematically examines the influence of geological and operational parameters on cross-interfacial fracture growth.Results demonstrate that vertical stress difference,elastic modulus contrast between coal and gangue layers,interfacial stress differential,and interfacial cohesion at coal-gangue interfaces are critical factors governing hydraulic fracture penetration through these interfaces.High vertical stress differences(>3 MPa)inhibit interfacial dilation,promoting predominant crosslayer fracture propagation.Reduced interfacial stress contrasts and enhanced interfacial cohesion facilitate fracture penetration across interfaces.Furthermore,smaller elastic modulus contrasts between coal and gangue correlate with increased interfacial aperture.Finally,lower injection rates effectively suppress vertical fracture propagation in deep coal reservoirs.This study elucidates the characteristics and mechanisms governing cross-layer fracture propagation in coal–rock composites with interbedded partings,and delineates the dynamic evolution laws and dominant controlling factors involved.Thefindings provide critical theoretical insights for the optimization of fracture design and the efficient development of deep coalbed methane reservoirs. 展开更多
关键词 Deep coal-rock formations cross-layer fracturing fluid-solid coupling fracture propagation behavior numerical simulation
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Numerical Simulation of the Welding Deformation of Marine Thin Plates Based on a Temperature Gradient-thermal Strain Method
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作者 Lin Wang Yugang Miao +3 位作者 Zhenjian Zhuo Chunxiang Lin Benshun Zhang Duanfeng Han 《哈尔滨工程大学学报(英文版)》 2026年第1期122-135,共14页
Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The t... Marine thin plates are susceptible to welding deformation owing to their low structural stiffness.Therefore,the efficient and accurate prediction of welding deformation is essential for improving welding quality.The traditional thermal elastic-plastic finite element method(TEP-FEM)can accurately predict welding deformation.However,its efficiency is low because of the complex nonlinear transient computation,making it difficult to meet the needs of rapid engineering evaluation.To address this challenge,this study proposes an efficient prediction method for welding deformation in marine thin plate butt welds.This method is based on the coupled temperature gradient-thermal strain method(TG-TSM)that integrates inherent strain theory with a shell element finite element model.The proposed method first extracts the distribution pattern and characteristic value of welding-induced inherent strain through TEP-FEM analysis.This strain is then converted into the equivalent thermal load applied to the shell element model for rapid computation.The proposed method-particularly,the gradual temperature gradient-thermal strain method(GTG-TSM)-achieved improved computational efficiency and consistent precision.Furthermore,the proposed method required much less computation time than the traditional TEP-FEM.Thus,this study lays the foundation for future prediction of welding deformation in more complex marine thin plates. 展开更多
关键词 Marine thin plate Welding deformation numerical simulation Temperature gradient-thermal strain method Shell element
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