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The potential and challenges of large language model agent systems in chemical process simulation: from automated modeling to intelligent design
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作者 Wenli Du Shaoyi Yang 《Frontiers of Chemical Science and Engineering》 2025年第10期137-143,共7页
Large language model-based agent systems are emerging as transformative technologies in chemical process simulation, enhancing efficiency, accuracy, and decision-making. By automating data analysis across structured a... Large language model-based agent systems are emerging as transformative technologies in chemical process simulation, enhancing efficiency, accuracy, and decision-making. By automating data analysis across structured and unstructured sources—including process parameters, experimental results, simulation data, and textual specifications—these systems address longstanding challenges such as manual parameter tuning, subjective expert reliance, and the gap between theoretical models and industrial application. This paper reviews the key barriers to broader adoption of large language model-based agent systems, including unstable software interfaces, limited dynamic modeling accuracy, and difficulties in multimodal data integration, which hinder scalable deployment. We then survey recent progress in domain-specific foundation models, model interpretability techniques, and industrial-grade validation platforms. Building on these insights, we propose a technical framework centered on three pillars: multimodal task perception, autonomous planning, and knowledge-driven iterative optimization. This framework supports adaptive reasoning and robust execution in complex simulation environments. Finally, we outline a next-generation intelligent paradigm where natural language-driven agent workflows unify high-level strategic intent with automated task execution. The paper concludes by identifying future research directions to enhance robustness, adaptability, and safety, paving the way for practical integration of large language model based agent systems into industrial-scale chemical process simulation. 展开更多
关键词 LLM agent systems chemical process simulation automated modeling
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Effect of terminal boundary protection on the spread of computer viruses:modeling and simulation
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作者 Kai GAO Lixin ZHANG +2 位作者 Yabing YAO Yang YANG Fuzhong NIAN 《Frontiers of Information Technology & Electronic Engineering》 2025年第9期1637-1648,共12页
The diversity and complexity of the user population on the campus network increase the risk of computer virus infection during terminal information interactions.Therefore,it is crucial to explore how computer viruses ... The diversity and complexity of the user population on the campus network increase the risk of computer virus infection during terminal information interactions.Therefore,it is crucial to explore how computer viruses propagate between terminals in such a network.In this study,we establish a novel computer virus spreading model based on the characteristics of the basic network structure and a classical epidemic-spreading dynamics model,adapted to real-world university scenarios.The proposed model contains six groups:susceptible,unisolated latent,isolated latent,infection,recovery,and crash.We analyze the proposed model's basic reproduction number and disease-free equilibrium point.Using real-world university terminal computer virus propagation data,a basic computer virus infection rate,a basic computer virus removal rate,and a security protection strategy deployment rate are proposed to define the conversion probability of each group and perceive each group's variation tendency.Furthermore,we analyze the spreading trend of computer viruses in the campus network in terms of the proposed computer virus spreading model.We propose specific measures to suppress the spread of computer viruses in terminals,ensuring the safe and stable operation of the campus network terminals to the greatest extent. 展开更多
关键词 Campus network terminal security Spread of computer virus model Analogue simulation Terminal protection measures
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Modeling the Cardiovascular System for the Simulation of Special Cases of Pulmonary Hypertension
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作者 Jefferson Sidoine Tadjonang Tegne René Thierry Djoumessi François Beceau Pelap 《Open Journal of Applied Sciences》 2025年第1期202-219,共18页
This study examines hemodynamic behavior in particular cases of pulmonary hypertension without treatment. Pulmonary hypertension represents an anomalous hemodynamic state and is characterized by an excessively high bl... This study examines hemodynamic behavior in particular cases of pulmonary hypertension without treatment. Pulmonary hypertension represents an anomalous hemodynamic state and is characterized by an excessively high blood pressure in the pulmonary artery. To simulate the hemodynamic abnormalities in pulmonary hypertension under different causes and pathologies, we construct a localized parameter circuit model governed by nonlinear ordinary derivative equations of the human circulatory system. Thus, two special cases are considered, namely pulmonary the artery stenosis and the left ventricular diastolic dysfunction. For each case of pulmonary hypertension development, we determine the relationships between blood pressure and chamber and vessel pressure-volume. When the pulmonary hypertension is due to pulmonary artery stenosis, it appears that the right ventricular pressure increases up to 90 mm Hg, likewise the rise in pulmonary artery resistance induces direct increment in pulmonary artery pressure. However, when the pulmonary hypertension is due to left ventricular diastolic dysfunction, we note that the left atrial pressure and the pulmonary vein pressure augment, leading to the growth of the pulmonary artery blood pressure. The established results within this paper are useful for understanding the hemodynamic mechanism of particular pulmonary hypertension. 展开更多
关键词 Pulmonary Hypertension Hemodynamic modeling Pulmonary Artery Stenosis Left Ventricular Diastolic Dysfunction
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Modeling and Simulation of the Thermal Behavior of Nubian Vault Walls
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作者 Karim Toussakoe Alidou Maiga +8 位作者 Adjigkiga Banouga Emmanuel Ouédraogo Nébon Bado Bouto Kossi Imbga Salifou Ouédraogo Abdoulaye Compaore Adélaide Lareba Ouédraogo Florent Pèlèga Kieno Sie Kam 《Journal of Energy and Power Engineering》 2025年第3期100-105,共6页
In this study,we simulated the thermal behavior of the mud-brick walls of a Nubian vault.We used EnergyPlus software for the simulation.The results obtained showed that the indoor temperature varies from 25.5℃ to 26.... In this study,we simulated the thermal behavior of the mud-brick walls of a Nubian vault.We used EnergyPlus software for the simulation.The results obtained showed that the indoor temperature varies from 25.5℃ to 26.5℃ for the period of January 2018.It varies from 33.2℃ to 33.6℃ with an average value of 33.1℃ for the month of April 2018.For the period of July 2018,it varies from 30.3℃ to 32.2℃ with an average value of 31.2℃..Relative humidity for the period of July ranged from 62.3%to 73.5%,with an average value of 67.9%.The simulation enabled us to compare simulated and measured temperature and humidity values.We found that the level of thermal comfort in the Nubian vault is acceptable in both cool and hot periods.In view of these results,we can say that the Nubian vault is an architecture suited to our climate.The technical concept of the Nubian vault is adapted to the climatic conditions and traditional know-how of the Sahel.We also found that the use of raw earth,a locally available material,and the Nubian vault architectural process,contribute to thermal comfort and a reappropriation of local and adapted know-how. 展开更多
关键词 Thermal simulation architectural technique TEMPERATURE walls thermal comfort
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A robust seismic wavefield modeling method based on minimizing spatial simulation error using L_(2)-norm cost function
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作者 Wei-Ting Peng Jian-Ping Huang 《Petroleum Science》 2025年第3期1051-1061,共11页
To reduce the spatial simulation error generated by the finite difference method,previous researchers compute the optimal finite-difference weights always by minimizing the error of spatial dispersion relation.However... To reduce the spatial simulation error generated by the finite difference method,previous researchers compute the optimal finite-difference weights always by minimizing the error of spatial dispersion relation.However,we prove that the spatial simulation error of the finite difference method is associated with the dot product of the spatial dispersion relation of the finite-difference weights and the spectrum of the seismic wavefield.Based on the dot product relation,we construct a L_(2) norm cost function to minimize spatial simulation error.For solving this optimization problem,the seismic wavefield infor-mation in wavenumber region is necessary.Nevertheless,the seismic wavefield is generally obtained by costly forward modeling techniques.To reduce the computational cost,we substitute the spectrum of the seismic wavelet for the spectrum of the seismic wavefield,as the seismic wavelet plays a key role in determining the seismic wavefield.In solving the optimization problem,we design an exhaustive search method to obtain the solution of the L_(2) norm optimization problem.After solving the optimization problem,we are able to achieve the finite-difference weights that minimize spatial simulation error.In theoretical error analyses,the finite-difference weights from the proposed method can output more accurate simulation results compared to those from previous optimization algorithms.Furthermore,we validate our method through numerical tests with synthetic models,which encompass homogenous/inhomogeneous media as well as isotropic and anisotropic media. 展开更多
关键词 Finite-difference scheme FD coefficients Spatial simulation error Spatial dispersion relation Seismic wavefield
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Microstructural evolution of dynamic recrystallization in 30CrNiMoVW steel during hot Compression:Constitutive modeling,kinetic model optimization,and multiscale FEM coupled CA simulation
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作者 Li Wang Junwei Qin +7 位作者 Pengyun Zhai Haohan Jia Min Li Yuzhi Zhu Kaixuan Chen Xiaohua Chen Yanlin Wang Zidong Wang 《Defence Technology(防务技术)》 2025年第11期184-203,共20页
Process of dynamic recrystallization(DRX)plays a crucial role in altering the microstructure and enhancing the mechanical characteristics of CrNiMoVW steel.However,its initiation mechanism,deformation conditions,and p... Process of dynamic recrystallization(DRX)plays a crucial role in altering the microstructure and enhancing the mechanical characteristics of CrNiMoVW steel.However,its initiation mechanism,deformation conditions,and predictive models remain insufficiently understood,requiring further research to optimize the processing technology.In the present study,hot compression experiments were carried out on 30CrNiMoVW steel under deformation conditions with temperatures ranging from 950 to 1,250℃and strain rates from 0.001 to 1 s~(-1),during which true stress-strain curves were obtained.Based on friction and temperature corrections applied to these curves,a constitutive equation for 30CrNiMoVW steel was established,and its accuracy was verified through fitting analysis.Simultaneously,the study identified limitations in the initial volume fraction model,prompting the development of a modified recrystallization volume fraction model that was validated via correlation analysis between experimental data and model predictions.Furthermore,building upon the modified recrystallization volume fraction model,a novel recrystallization rate model was developed,and three characteristic strain points were determined.These points segmented the rate curve into three stages:a slow initiation stage(0,ε1),a rapid growth stage(1,ε3),and a slow equilibrium stage(e3,0.9).Notably,the value ofε3 was considered the most economical,ensuring the formation of fine and uniform grains during production while optimizing the process,reducing energy consumption and costs,and enhancing overall material performance.Finally,based on the physical constitutive relationships and kinetic models,a multiscale simulation approach combining the finite element method(FEM)and cellular automata(CA)was employed to predict the microstructural evolution of 30CrNiMoVW steel.The simulation results demonstrate that the FEM&CA approach can accurately reproduce the dynamic recrystallization behavior and microstructural evolution observed experimentally.This work provides critical guidance for the development of forging processes for 30CrNiMoVW steel. 展开更多
关键词 CrNiMoV steel DRX volume fraction DRX rate model FEM&CA
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Dynamic modeling and simulation of blade-casing system with rubbing considering time-varying stiffness and mass of casing
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作者 Hui MA Hong GUAN +4 位作者 Lin QU Xumin GUO Qinqin MU Yao ZENG Yanyan CHEN 《Applied Mathematics and Mechanics(English Edition)》 2025年第5期849-868,共20页
As a common fault of the aero-engine,the blade-casing rubbing(BCR)has the potential to cause catastrophic accidents.In this paper,to investigate the dynamic responses and wear characteristics of the system,the laminat... As a common fault of the aero-engine,the blade-casing rubbing(BCR)has the potential to cause catastrophic accidents.In this paper,to investigate the dynamic responses and wear characteristics of the system,the laminated shell element is used to establish the finite element model(FEM)of a flexibly coated casing system.Using the shell element,the blade is modeled,and the surface stress of the blade is calculated.The stress-solving method of the blade is validated through comparisons with the measured time-domain waveform of the stress.Then,a dynamic model of a blade-flexibly coated casing system with rubbing is proposed,accounting for the time-varying mass and stiffness of the casing caused by coating wear.The effects of the proposed flexible casing model are compared with those of a rigid casing model,and the stress changes induced by rubbing are investigated.The results show that the natural characteristics of the coated casing decrease due to the coating wear.The flexibly coated casing model is found to be more suitable for studying casing vibration.Additionally,the stress changes caused by rubbing are slight,and the change in the stress maximum is approximately 5%under the influence of the abrasive coating. 展开更多
关键词 dynamic modeling flexibly coated casing RUBBING coating wear nonlinear vibration
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Modeling and Simulation of Epidemics Using q-Diffusion-Based SEIR Framework with Stochastic Perturbations
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作者 Amani Baazeem Muhammad Shoaib Arif +1 位作者 Yasir Nawaz Kamaleldin Abodayeh 《Computer Modeling in Engineering & Sciences》 2025年第6期3463-3489,共27页
The numerical approximation of stochastic partial differential equations(SPDEs),particularly those including q-diffusion,poses considerable challenges due to the requirements for high-order precision,stability amongst... The numerical approximation of stochastic partial differential equations(SPDEs),particularly those including q-diffusion,poses considerable challenges due to the requirements for high-order precision,stability amongst random perturbations,and processing efficiency.Because of their simplicity,conventional numerical techniques like the Euler-Maruyama method are frequently employed to solve stochastic differential equations;nonetheless,they may have low-order accuracy and lower stability in stiff or high-resolution situations.This study proposes a novel computational scheme for solving SPDEs arising from a stochastic SEIR model with q-diffusion and a general incidence rate function.A proposed computational scheme can be used to solve stochastic partial differential equations.For spatial discretization,a compact scheme is chosen.The compact scheme can provide a sixth-order accurate solution.The proposed scheme can be considered an extension of the Euler Maruyama method.Stability and consistency in the mean square sense are also provided.For application purposes,the stochastic SEIR model is considered using q-diffusion effects.The scheme is used to solve the stochastic model and compared with the Euler-Maruyama method.The scheme is also compared with nonstandard finite difference method for solving deterministic models.In both cases,it performs better than existing schemes.Incorporating q-diffusion further enhanced the model’s ability to represent realistic spatial-temporal disease dynamics,especially in scenarios where classical diffusion is insufficient. 展开更多
关键词 Computational scheme STABILITY CONSISTENCY SEIR epidemic model q-diffusion saturated incidence rate
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Structure-type rockburst in deep tunnels: Physical modeling and numerical simulation
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作者 Guo-Qiang Zhu Yan Zhang +3 位作者 Shaojun Li Yang-Yi Zhou Jialiang Zhou Minglang Zou 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第6期3502-3523,共22页
Structure-type rockbursts frequently occur in deep tunnels,with structural planes and stress conditions being critical factors in their formation.In this study,we utilized specially developed analogous materials that ... Structure-type rockbursts frequently occur in deep tunnels,with structural planes and stress conditions being critical factors in their formation.In this study,we utilized specially developed analogous materials that exhibit the high brittleness and strength characteristics of deep hard rock to construct physical models representing different types of structural planes,including composite,exposed,non-exposed,and throughgoing structural planes.Physical simulation experiments were conducted on structuretype rockbursts in deep horseshoe-shaped tunnels,focusing on strain differentiation characteristics,critical triggering conditions,critical crack opening displacement,the incubation process,the reduction effects of structural planes on failure intensity,and formation mechanisms.These experiments were complemented by acoustic and optical monitoring,as well as discrete element numerical simulations,to provide a comprehensive analysis.The results revealed that the most significant strain heterogeneity in the surrounding rock occurs at the tip of the structural plane along the tunnel's minimum principal stress direction,driven by the combined effects of tensile and shear forces.We quantitatively determined the critical stress and strain conditions for structure-type rockbursts and evaluated the intensity of rockbursts induced by different structural planes using critical crack opening displacement(COD)values,the uniformity coefficient,and the curvature coefficient.Analysis of acoustic emission events,including frequency,amplitude,and b-value,indicated that the macro-fracture process is governed by both the principal stress differential and the characteristics of the structural plane.Furthermore,using the bearing capacity reduction coefficient,we found that exposed structural planes have the most significant weakening effect on rock mass strength,followed by non-exposed and throughgoing structural planes.The analysis of average frequency(AF)and rise angle(RA)parameters revealed a close correlation between the failure modes of structure-type rockbursts,the rock mass structure,and the stress levels.These findings provide critical theoretical support for the prediction and prevention of structure-type rockburst disasters. 展开更多
关键词 Deep tunnel ROCKBURST Structural plane Strain heterogeneity Physical model test Particle flow code(PFC)
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Assessment of shear wave velocity models in the Southeast Qinghai-Xizang Plateau with full-wave simulation
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作者 Wenpei Miao Guoliang Li +2 位作者 Fenglin Niu Kai Tao Yonghua Li 《Earthquake Science》 2025年第3期159-171,共13页
Various velocity models have been built for Southeast Qinghai-Xizang Plateau with the purpose of revealing the internal dynamics and estimating local seismic hazards.In this study,we use a 3-D full-waveform modeling p... Various velocity models have been built for Southeast Qinghai-Xizang Plateau with the purpose of revealing the internal dynamics and estimating local seismic hazards.In this study,we use a 3-D full-waveform modeling package to systematically validate three published continental-scale velocity models,that is,Shen2016,FWEA18,and USTClitho1.0,leveraging the ample datasets in Southeast Qinghai-Xizang Plateau region.Travel time residuals and waveform similarities are measured between observed empirical Green’s functions and synthetic waveforms.The results show that the Shen2016 model,derived from traditional surface wave tomography,performs best in fitting Rayleigh waves in the Southeast Qinghai-Xizang Plateau,followed by FWEA18,built from full-waveform inversion of long-period body and surface waves.The USTClitho1.0 model,although inverted from body wave datasets,is comparable with FWEA18 in fitting Rayleigh waves.The results also show that all the models are faster than the ground-truth model and show relatively large travel-time residuals and poor waveform similarities at shorter period bands,possibly caused by small-scale structural heterogeneities in the shallower crust.We further invert the time residuals for spatial velocity residuals and reveal that all three models underestimate the amplitudes of high-and low-velocity anomalies.The underestimated amplitude is up to 4%,which is non-negligible considering that the overall amplitude of anomalies is only 5%−10%in the crust.These results suggest that datasets and the inversion method are both essential to building accurate models and further refinements of these models are necessary. 展开更多
关键词 Qinghai-Xizang Plateau tomography models fullwave simulation model validation
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Model Design and Simulation of an 80 kW Capacitor Coupled Substation Derived from a 132 kV Transmission Line
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作者 Sinqobile Wiseman Nene Bolanle Tolulope Abe Agha Francis Nnachi 《Open Journal of Modelling and Simulation》 2025年第1期1-19,共19页
The global rise in energy demand, particularly in remote and sparsely populated regions, necessitates innovative and cost-effective electrical distribution solutions. Traditional Rural Electrification (RE) methods, li... The global rise in energy demand, particularly in remote and sparsely populated regions, necessitates innovative and cost-effective electrical distribution solutions. Traditional Rural Electrification (RE) methods, like Conventional Rural Electrification (CRE), have proven economically unfeasible in such areas due to high infrastructure costs and low electricity demand. Consequently, Unconventional Rural Electrification (URE) technologies, such as Capacitor Coupled Substations (CCS), are gaining attention as viable alternatives. This study presents the design and simulation of an 80 kW CCS system, which taps power directly from a 132 kV transmission line to supply low-voltage consumers. The critical components of the CCS, the capacitors are calculated, then a MATLAB/Simulink model with the attained results is executed. Mathematical representation and state-space representation for maintaining the desired tapped voltage area also developed. The research further explores the feasibility and operational performance of this CCS configuration, aiming to address the challenges of rural electrification by offering a sustainable and scalable solution. The results show that the desired value of the tapped voltage can be achieved at any level of High Voltage (HV) with the selection of capacitors that are correctly rated. With an adequately designed control strategy, the research also shows that tapped voltage can be attained under both steady-state and dynamic loads. By leveraging CCS technology, the study demonstrates the potential for delivering reliable electricity to underserved areas, highlighting the system’s practicality and effectiveness in overcoming the limitations of conventional distribution methods. 展开更多
关键词 Capacitor-Coupled Substation Transmission Line-linked Capacitor-Coupled Substation Capacitor-Coupled Substation simulation MICROGRIDS Rural Electrification Power System modeling
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Seismic responses and shattering cumulative effects of bedding parallel stepped rock slope:Model test and numerical simulation 被引量:1
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作者 Chunlei Xin Fei Yang +2 位作者 Wenkai Feng Zhao Wang Wenhui Li 《Journal of Rock Mechanics and Geotechnical Engineering》 2025年第4期2009-2030,共22页
Bedding parallel stepped rock slopes exist widely in nature and are used in slope engineering.They are characterized by complex topography and geological structure and are vulnerable to shattering under strong earthqu... Bedding parallel stepped rock slopes exist widely in nature and are used in slope engineering.They are characterized by complex topography and geological structure and are vulnerable to shattering under strong earthquakes.However,no previous studies have assessed the mechanisms underlying seismic failure in rock slopes.In this study,large-scale shaking table tests and numerical simulations were conducted to delineate the seismic failure mechanism in terms of acceleration,displacement,and earth pressure responses combined with shattering failure phenomena.The results reveal that acceleration response mutations usually occur within weak interlayers owing to their inferior performance,and these mutations may transform into potential sliding surfaces,thereby intensifying the nonlinear seismic response characteristics.Cumulative permanent displacements at the internal corners of the berms can induce quasi-rigid displacements at the external corners,leading to greater permanent displacements at the internal corners.Therefore,the internal corners are identified as the most susceptible parts of the slope.In addition,the concept of baseline offset was utilized to explain the mechanism of earth pressure responses,and the result indicates that residual earth pressures at the internal corners play a dominant role in causing deformation or shattering damage.Four evolutionary deformation phases characterize the processes of seismic responses and shattering failure of the bedding parallel stepped rock slope,i.e.the formation of tensile cracks at the internal corners of the berm,expansion of tensile cracks and bedding surface dislocation,development of vertical tensile cracks at the rear edge,and rock mass slipping leading to slope instability.Overall,this study provides a scientific basis for the seismic design of engineering slopes and offers valuable insights for further studies on preventing seismic disasters in bedding parallel stepped rock slopes. 展开更多
关键词 Rock slope stability Shaking table test Numerical simulation Permanent displacement Acceleration amplification factor
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Numerical simulation of 3D supersonic asymmetric truncated nozzle based on k-kL algebraic stress model
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作者 Gang WANG Shuai ZHANG +1 位作者 Jifa ZHANG Yao ZHENG 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 2025年第3期238-251,共14页
The nozzle is a critical component responsible for generating most of the net thrust in a scramjet engine.The quality of its design directly affects the performance of the entire propulsion system.However,most turbule... The nozzle is a critical component responsible for generating most of the net thrust in a scramjet engine.The quality of its design directly affects the performance of the entire propulsion system.However,most turbulence models struggle to make accurate predictions for subsonic and supersonic flows in nozzles.In this study,we explored a novel model,the algebraic stress model k-kL-ARSM+J,to enhance the accuracy of turbulence numerical simulations.This new model was used to conduct numerical simulations of the design and off-design performance of a 3D supersonic asymmetric truncated nozzle designed in our laboratory,with the aim of providing a realistic pattern of changes.The research indicates that,compared to linear eddy viscosity turbulence models such as k-kL and shear stress transport(SST),the k-kL-ARSM+J algebraic stress model shows better accuracy in predicting the performance of supersonic nozzles.Its predictions were identical to the experimental values,enabling precise calculations of the nozzle.The performance trends of the nozzle are as follows:as the inlet Mach number increases,both thrust and pitching moment increase,but the rate of increase slows down.Lift peaks near the design Mach number and then rapidly decreases.With increasing inlet pressure,the nozzle thrust,lift,and pitching moment all show linear growth.As the flight altitude rises,the internal flow field within the nozzle remains relatively consistent due to the same supersonic nozzle inlet flow conditions.However,external to the nozzle,the change in external flow pressure results in the nozzle exit transitioning from over-expanded to under-expanded,leading to a shear layer behind the nozzle that initially converges towards the nozzle center and then diverges. 展开更多
关键词 Supersonic nozzle Turbulence model Numerical simulation Performance analysis
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Tropical Cyclone Simulations:The Impact of Model Top/Damping Layer and the Role of Stratospheric Gravity Waves
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作者 Xu WANG Yuan WANG +2 位作者 Lifeng ZHANG Yun ZHANG Jiping GUAN 《Advances in Atmospheric Sciences》 2025年第11期2290-2304,共15页
This paper investigates the impact of the model top and damping layer on the numerical simulation of tropical cyclones(TCs)and reveals the significant role of stratospheric gravity waves(SGWs).TCs can generate SGWs,wh... This paper investigates the impact of the model top and damping layer on the numerical simulation of tropical cyclones(TCs)and reveals the significant role of stratospheric gravity waves(SGWs).TCs can generate SGWs,which propagate upward and outward into the stratosphere.These SGWs can reach the damping layer,which is a consequence of the numerical scheme employed,where they can affect the tangential circulation through the dragging and forcing processes.In models with a higher top boundary,this tangential circulation develops far from the TC and has minimal direct impact on TC intensity.By comparison,in models with a lower top(e.g.,20 km),the damping layer is located just above the top of the TC.The SGW dragging in the damping layer and the consequent tangential force can thus induce ascent outside the eyewall,promote latent heat release,tilt the eyewall,and enlarge the inner-core radius.This process will reduce inner-core vorticity advection within the boundary layer,and eventually inhibits the intensification of the TC.This suggests that when the thickness of the damping layer is 5 km,the TC numerical model top height should be at least higher than 20 km to generate more accurate simulations. 展开更多
关键词 gravity waves STRATOSPHERE tropical cyclones numerical simulations damping layer model top
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Multi-scale Numerical Simulations for Crack Propagation in NiTi Shape Memory Alloys by Molecular Dynamics-based Cohesive Zone Model
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作者 LI Yunfei WANG Yuancen HE Qinshu 《Journal of Wuhan University of Technology(Materials Science)》 2025年第2期599-609,共11页
The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope ... The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope and image processing technology were employed to achieve a quantitative grain size distribution of NiTi alloys so as to provide experimental data for molecular dynamics modeling at the atomic scale.Considering the size effect of molecular dynamics model on material properties,a reasonable modeling size was provided by taking into account three characteristic dimensions from the perspective of macro,meso,and micro scales according to the Buckinghamπtheorem.Then,the corresponding MD simulation on deformation and fracture behavior was investigated to derive a parameterized traction-separation(T-S)law,and then it was embedded into cohesive elements of finite element software.Thus,the crack propagation behavior in NiTi alloys was reproduced by the finite element method(FEM).The experimental results show that the predicted initiation fracture toughness is in good agreement with experimental data.In addition,it is found that the dynamics initiation fracture toughness increases with decreasing grain size and increasing loading velocity. 展开更多
关键词 NiTi shape memory alloys multi-scale numerical simulation crack propagation the cohesive zone model molecular dynamics simulation
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A prediction model for guiding tumor microwave ablation surgery based on simulation
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作者 Lu Qian Yamin Yang +4 位作者 Pan Chen Jia Liu Xiaofei Jin Zhiyu Qian Chunxiao Chen 《Journal of Innovative Optical Health Sciences》 2025年第1期85-99,共15页
Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which i... Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which is prone to either inadequate or excessive ablation.This paper aims to establish an ablation prediction model that guides MWA tumor surgical planning.Methods:An MWA process was first simulated by incorporating electromagnetic radiation equations,thermal equations,and optimized biological tissue parameters(dynamic dielectric and thermophysical parameters).The temperature distributions(the short/long diameters,and the total volume of the ablation zone)were then generated and verified by 60 cases ex vivo porcine liver experiments.Subsequently,a series of data were obtained from the simulated temperature distributions and to further fit the novel ablation coagulated area prediction model(ACAPM),thus rendering the ablation-dose table for the guiding surgical plan.The MWA clinical patient data and clinical devices suggested data were used to validate the accuracy and practicability of the established predicted model.Results:The 60 cases ex vivo porcine liver experiments demonstrated the accuracy of the simulated temperature distributions.Compared to traditional simulation methods,our approach reduces the long-diameter error of the ablation zone from 1.1 cm to 0.29 cm,achieving a 74%reduction in error.Further,the clinical data including the patients'operation results and devices provided values were consistent well with our predicated data,indicating the great potential of ACAPM to assist preoperative planning. 展开更多
关键词 Microwave ablation ablation simulation microwave prediction model dynamic tissue parameter
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Differential adsorption characteristics in the composite model of deep marine shale:Implication from molecular dynamics simulations
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作者 Yu-Ying Wang Jun-Qing Chen +8 位作者 Fu-Jie Jiang Xiao-Bin Yang Xiao Zhang Hong Pang Dong-Xia Chen Bing-Yao Li Xin-Yi Niu Gui-Li Ma Kan-Yuan Shi 《Petroleum Science》 2025年第6期2247-2261,共15页
Shale gas serves as a significant strategic successor resource for future oil and gas reserves and production in China.Thus,a profound understanding of the adsorption mechanism of shale gas in shale reservoirs is cruc... Shale gas serves as a significant strategic successor resource for future oil and gas reserves and production in China.Thus,a profound understanding of the adsorption mechanism of shale gas in shale reservoirs is crucial to accurately predict and evaluate shale gas reserves.In this study,we utilized two simulation methods,molecular dynamics simulation and Giant Canonical Monte Carlo simulation to examine the adsorption characteristics of kerogen under varying temperature and pressure conditions.We compared the results under identical temperature and pressure conditions for different mineral-kerogen composite models.Moreover,we examined the effects of temperature,pressure,and mineral species on the kerogen adsorption mechanism.The results indicate that shale formations with high organic matter content and a substantial proportion of non-clay inorganic minerals,as well as those subjected to higher temperature and pressure conditions than the shallow layer,possess a greater capacity to accommodate shale gas.This study examined the adsorption mechanism of methane in shale gas using different mineral-kerogen composite models.The findings of this study provide more accurate guidance and support for efficient development of shale gas. 展开更多
关键词 Adsorption mechanisms Kerogen model Longmaxi Formation Marine shale molecular simulation Shale gas
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PM_(10) dust emission in the Erenhot-Huailai zone of northern China based on model simulation
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作者 WANG Yong YAN Ping +3 位作者 WU Wei WANG Yijiao HU Chanjuan LI Shuangquan 《Journal of Arid Land》 2025年第3期324-336,共13页
The Erenhot-Huailai zone, as an important dust emission source area in northern China, affects the air quality of Beijing City, Tianjin City, and Hebei Province and human activities in this zone have a profound impact... The Erenhot-Huailai zone, as an important dust emission source area in northern China, affects the air quality of Beijing City, Tianjin City, and Hebei Province and human activities in this zone have a profound impact on surface dust emission. In order to explore the main source areas of surface dust emission and quantify the impacts of human activities on surface dust emission, we investigated the surface dust emission of different land types on the Erenhot-Huailai zone by model simulation, field observation, and comparative analysis. The results showed that the average annual inhalable atmospheric particles(PM_(10)) dust emission fluxes in arid grassland, Hunshandake Sandy Land, semi-arid grassland,semi-arid agro-pastoral area, dry sub-humid agro-pastoral area, and semi-humid agro-pastoral area were 4.41, 0.71, 3.64, 1.94, 0.24, and 0.14 t/hm^(2), respectively, and dust emission in these lands occurred mainly from April to May. Due to the influence of human activities on surface dust emission, dust emission fluxes from different land types were 1.66–4.41 times greater than those of their background areas, and dust emission fluxes from the main dust source areas were 1.66–3.89 times greater than those of their background areas. According to calculation, the amount of PM_(10) dust emission influenced by human disturbance accounted for up to 58.00% of the total dust emission in the study area. In addition, the comparative analysis of model simulation and field observation results showed that the simulated and observed dust emission fluxes were relatively close to each other, with differences ranging from 0.01 to 0.21 t/hm^(2) in different months, which indicated that the community land model version 4.5(CLM4.5) had a high accuracy. In conclusion, model simulation results have important reference significance for identifying dust source areas and quantifying the contribution of human activities to surface dust emission. 展开更多
关键词 northern China classification of land type model simulation dust emission human disturbance
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A Connectivity Model for the Numerical Simulation of Microgel Flooding in Low-Permeability Reservoirs
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作者 Tao Wang Haiyang Yu +5 位作者 Jie Gao Fei Wang Xinlong Zhang Hao Yang Guirong Di Pengrun Wang 《Fluid Dynamics & Materials Processing》 2025年第5期1191-1200,共10页
Oilfields worldwide are increasingly grappling with challenges such as early water breakthrough and high water production,yet direct,targeted solutions remain elusive.In recent years,chemical flooding techniques desig... Oilfields worldwide are increasingly grappling with challenges such as early water breakthrough and high water production,yet direct,targeted solutions remain elusive.In recent years,chemical flooding techniques designed for tertiary oil recovery have garnered significant attention,with microgel flooding emerging as a particularly prominent area of research.Despite its promise,the complex mechanisms underlying microgel flooding have been rarely investigated numerically.This study aims to address these gaps by characterizing the distribution of microgel concentration and viscosity within different pore structures.To enhance the accuracy of these characterizations,the viscosity of microgels is adjusted to account for the shear effects induced by flow rate and the swelling effects driven by salinity variations.The absolute permeability of the rock and the relative permeability of both oil and microgel are also analyzed to elucidate the mechanisms of microgel flooding.Additionally,a connectivity model is employed to achieve a quantitative representation of fluid flow capacity.The proposed model is validated through conceptual examples and applied to real oilfield blocks,demonstrating its accuracy and practical applicability. 展开更多
关键词 Connectivity model chemical enhanced oil recovery microgel flooding numerical reservoir simulation fractured reservoirs
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UAF-based integration of design and simulation model for system-of-systems
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作者 FENG Yimin GE Ping +2 位作者 SHAO Yanli ZOU Qiang LIU Yusheng 《Journal of Systems Engineering and Electronics》 2025年第1期108-126,共19页
Model-based system-of-systems(SOS)engineering(MBSoSE)is becoming a promising solution for the design of SoS with increasing complexity.However,bridging the models from the design phase to the simulation phase poses si... Model-based system-of-systems(SOS)engineering(MBSoSE)is becoming a promising solution for the design of SoS with increasing complexity.However,bridging the models from the design phase to the simulation phase poses significant challenges and requires an integrated approach.In this study,a unified requirement modeling approach is proposed based on unified architecture framework(UAF).Theoretical models are proposed which compose formalized descriptions from both topdown and bottom-up perspectives.Based on the description,the UAF profile is proposed to represent the SoS mission and constituent systems(CS)goal.Moreover,the agent-based simulation information is also described based on the overview,design concepts,and details(ODD)protocol as the complement part of the SoS profile,which can be transformed into different simulation platforms based on the eXtensible markup language(XML)technology and model-to-text method.In this way,the design of the SoS is simulated automatically in the early design stage.Finally,the method is implemented and an example is given to illustrate the whole process. 展开更多
关键词 model-based systems engineering unified architecture framework(UAF) system-of-systems engineering model transformation simulation
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