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
As coal mining depth increases,the combined effects of high stress,mining stress,and fault structures make dynamic impact hazards more frequent.The reproduction of dynamic impact phenomena is basis for studying their ...As coal mining depth increases,the combined effects of high stress,mining stress,and fault structures make dynamic impact hazards more frequent.The reproduction of dynamic impact phenomena is basis for studying their occurrence patterns and control mechanisms.Physical simulation test represents an efficacious methodology.However,there is currently a lack of simulation devices that can effectively simulate two types of dynamic impact phenomena,including high stress and fault slip dynamic impact.To solve aforementioned issues,the physical simulation test system for dynamic impact in deep roadways developed by authors is employed to carry out comparative tests of high stress and fault slip dynamic impact.The phenomena of high stress and fault slip dynamic impact are reproduced successfully.A comparative analysis is conducted on dynamic phenomena,stress evolution,roadway deformation,and support force.The high stress dynamic impact roadway instability mode,which is characterized by the release of high energy accompanied by symmetric damage,and the fault slip dynamic impact roadway instability mode,which is characterized by the propagation of unilateral stress waves accompanied by asymmetric damage,are clarified.On the basis,the differentiated control concepts for different types of dynamic impact in deep roadways are proposed.展开更多
Burial dissolution is a critical diagenetic process influencing ultra-deep carbonate reservoir development and preservation.Artificial carbonate samples with different internal structures were prepared,and high-temper...Burial dissolution is a critical diagenetic process influencing ultra-deep carbonate reservoir development and preservation.Artificial carbonate samples with different internal structures were prepared,and high-temperature and highpressure dissolution kinetic simulations were conducted.The results demonstrate that the intensity of burial dissolution is controlled by temperature and pressure,while tectonic-fluid activity influences the development pattern of burial dissolution,ultimately determining the direction of its differential modification.Extensive burial dissolution is likely to occur primarily at relatively shallow depths,significantly influencing reservoir formation,preservation,modification,and adjustment.The development of faults facilitates the maintenance of the intensity of burial dissolution.The maximum intensity of burial dissolution occurs at the tips and overlap zones of faults and intersections of multiple faults.The larger the scale of the faults,the more conducive it is to the development of burial dissolution.Burial dissolution fosters the formation of fault networks characterized by enhanced reservoir capacity and permeability.Burial dissolution controlled by episodic tectonic-fluid activity is a plausible explanation for forming the Tarim Basin's ultra-deep fault-controlled“stringbead-like”reservoirs.展开更多
The intricate interplay between rock mechanics and fracture-induced fluid flow during resource extrac-tion exerts profound effects on groundwater systems,posing a pivotal challenge for promoting green and safe develop...The intricate interplay between rock mechanics and fracture-induced fluid flow during resource extrac-tion exerts profound effects on groundwater systems,posing a pivotal challenge for promoting green and safe development in underground engineering.To address this,a novel numerical model with an explicit coupling simulation strategy is presented.This model integrates distinct modules for individual physical mechanisms,ensuring second-order accuracy through shared time integration,thereby overcoming lim-itations in simulating mining-induced strata damage,water flow,and permeability dynamics.A novel mathematical model is incorporated into the mechanical simulation to characterize the abrupt increase in permeability resulting from rock fracture propagation.This increase is quantified by evaluating the plastic damage state of rocks and incorporating a damage coefficient that is intrinsically linked to rock strength.The mechanical model tracks permeability changes due to mining.The flow model simulates aquifer-mine water interactions by calculating hydraulic conductivity and using dynamic zoning,adapt-ing to mining progress.When applied to a case study of a complex mine,this approach significantly improved the accuracy of water inflow rate predictions by 57%.展开更多
The graded density impactor(GDI)dynamic loading technique is crucial for acquiring the dynamic physical property parameters of materials used in weapons.The accuracy and timeliness of GDI structural design are key to ...The graded density impactor(GDI)dynamic loading technique is crucial for acquiring the dynamic physical property parameters of materials used in weapons.The accuracy and timeliness of GDI structural design are key to achieving controllable stress-strain rate loading.In this study,we have,for the first time,combined one-dimensional fluid computational software with machine learning methods.We first elucidated the mechanisms by which GDI structures control stress and strain rates.Subsequently,we constructed a machine learning model to create a structure-property response surface.The results show that altering the loading velocity and interlayer thickness has a pronounced regulatory effect on stress and strain rates.In contrast,the impedance distribution index and target thickness have less significant effects on stress regulation,although there is a matching relationship between target thickness and interlayer thickness.Compared with traditional design methods,the machine learning approach offers a10^(4)—10^(5)times increase in efficiency and the potential to achieve a global optimum,holding promise for guiding the design of GDI.展开更多
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
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
This special issue focuses on simulation optimization(SO),which combines stochastic simulation with optimization techniques to address complex decisionmaking problems under uncertainty.SO has gained increasing importa...This special issue focuses on simulation optimization(SO),which combines stochastic simulation with optimization techniques to address complex decisionmaking problems under uncertainty.SO has gained increasing importance in areas such as transportation,supply chain and manufacturing,providing solutions where traditional analytical methods may fail.Recent advances in computing,data analytics,and artificial intelligence have significantly enhanced the efficiency and capability of SO methods,enabling the development of innovative techniques.This special issue aims to highlight recent theoretical and practical advancements in SO,showcasing its potential to solve real-world problems and inspiring further research and application in this dynamic field.展开更多
Gassy soils are distributed in relatively shallow layers the Quaternary deposit in Hangzhou Bay area. The shallow gassy soils significantly affect the construction of underground projects. Proper characterization of s...Gassy soils are distributed in relatively shallow layers the Quaternary deposit in Hangzhou Bay area. The shallow gassy soils significantly affect the construction of underground projects. Proper characterization of spatial distribution of shallow gassy soils is indispensable prior to construction of underground projects in the area. Due to the costly conditions required in the site investigation for gassy soils, only a limited number of gas pressure data can be obtained in engineering practice, which leads to the uncertainty in characterizing spatial distribution of gassy soils. Determining the number of boreholes for investigating gassy soils and their corresponding locations is pivotal to reducing construction risk induced by gassy soils. However, this primarily relies on the engineering experience in the current site investigation practice. This study develops a probabilistic site investigation optimization method for planning investigation schemes (including the number and locations of boreholes) of gassy soils based on the conditional random field and Monte Carlo simulation. The proposed method aims to provide an optimal investigation scheme before the site investigation based on prior knowledge. Finally, the proposed approach is illustrated using a case study.展开更多
Self-assembly of block copolymers(BCPs)is highly intricate and is adsorbing extensive experimental and simulation efforts to reveal it for maximizing structural order and device performances.The coarse-grained(CG)mole...Self-assembly of block copolymers(BCPs)is highly intricate and is adsorbing extensive experimental and simulation efforts to reveal it for maximizing structural order and device performances.The coarse-grained(CG)molecular dynamics(MD)simulation offers a microscopic angle to view the self-assembly of BCPs.Although some molecular details are sacrificed during CG processes,this method exhibits remarkable computational efficiency.In this study,a comprehensive CG model for polystyrene-block-poly(2-vinylpyridine),PS-b-P2VP,one of the most extensively studied BCPs for its high Flory-Huggins interaction parameter,is constructed,with parameters optimized using target values derived from all-atom MD simulations.The CG model precisely coincides with various classical self-assembling morphologies observed in experimental studies,matching the theoretical phase diagrams.Moreover,the conformational asymmetry of the experimental phase diagram is also clearly revealed by our simulation results,and the phase boundaries obtained from simulations are highly consistent with experimental results.The CG model is expected to extend to simulate the self-assembly behaviors of other BCPs in addition to PS-b-P2VP,thus increasing understanding of the microphase separation of BCPs from the molecular level.展开更多
In this study,a new linear friction welding(LFW)process,embedded LFW process,was put forward,which was mainly applied to combination manufacturing of long or overlong loadcarrying titanium alloy structural components ...In this study,a new linear friction welding(LFW)process,embedded LFW process,was put forward,which was mainly applied to combination manufacturing of long or overlong loadcarrying titanium alloy structural components in aircraft.The interfacial plastic flow behavior and bonding mechanism of this process were investigated by a developed coupling EulerianLagrangian numerical model using software ABAQUS and a novel thermo-physical simulation method with designed embedded hot compression specimen.In addition,the formation mechanism and control method of welding defects caused by uneven plastic flow were discussed.The results reveal that the plastic flow along oscillating direction of this process is even and sufficient.In the direction perpendicular to oscillation,thermo-plastic metals mainly flow downward along welding interface under coupling of shear stress and interfacial pressure,resulting in the interfacial plastic zone shown as an inverted“V”shape.The upward plastic flow in this direction is relatively weak,and only a small amount of flash is extruded from top of joint.Moreover,the wedge block and welding components at top of joint are always in un-steady friction stage,leading to nonuniform temperature field distribution and un-welded defects.According to the results of numerical simulation,high oscillating frequency combined with low pressure and small amplitude is considered as appropriate parameter selection scheme to improve the upward interfacial plastic flow at top of joint and suppress the un-welded defects.The results of thermo-physical simulation illustrate that continuous dynamic recrystallization(CDRX)induces the bonding of interface,accompanying by intense dislocation movement and creation of many low-angle grain boundaries.In the interfacial bonding area,grain orientation is random with relatively low texture density(5.0 mud)owing to CDRX.展开更多
The detection of unexploded ordnance(UXO)is critical for battlefield clearance and civilian safety.This study presents the development of a software for automated simulation based on the high frequency structure simul...The detection of unexploded ordnance(UXO)is critical for battlefield clearance and civilian safety.This study presents the development of a software for automated simulation based on the high frequency structure simulator(HFSS)and the MATLAB application programming interface(API),which together form the HFSS-MATLAB-API.This interface enables control over HFSS and conducts frequency-domain electromagnetic simulations for various types of UXO,including anti-tank mines,grenades,mortars,and aerial bombs.The software automates modelling,solving,data extraction,and analysis through MATLAB,enhancing the efficiency of simulation and enabling flexible settings for target models,coil parameters,and subsurface media.The research utilizes numerical simulation methods to analyze the response characteristics of different types of UXO in electromagnetic induction and explores the impact of the rotation angle of the target model on the attenuation characteristics of the measurement line.The results indicate that the electromagnetic response of UXO varies significantly based on type,burial depth,and spatial orientation.The findings provide a theoretical foundation for the electromagnetic detection,target identification,and classification of UXO.展开更多
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
We propose a hybrid quantum-classical method,the quantum-enriched large eddy simulation(QELES),for simulating turbulence.The QELES combines the large-scale motion of the large eddy simulation(LES)and the subgrid motio...We propose a hybrid quantum-classical method,the quantum-enriched large eddy simulation(QELES),for simulating turbulence.The QELES combines the large-scale motion of the large eddy simulation(LES)and the subgrid motion of the incompressible Schrodinger flow(ISF).The ISF is a possible way to be simulated on a quantum computer,and it generates subgrid scale turbu-lent structures to enrich the LES field.The enriched LES field can be further used in turbulent combustion and multi-phase flows in which the subgrid scale motion plays an important role.As a conceptual study,we perform the simulations of ISF and LES separately on a classical computer to simulate decaying homogeneous isotropic turbulence.Then,the QEI ES velocity is obtained by the time matching and the spectral blending methods.The QEL ES achieves significant improvement in predicting the energy spectrum,probaility density functions of velocity and vorticity components,and velocity structure functions,and reconstructs coherent small-scales vortices in the direct numerical simulation(DNS).On the other hand,the vortices in the QELES are less elongated and tangled than those in the DNS,and the magnitude of the third-order structure function in the QELES is less than that in the DNS,due to the diferent constitutive relations in the viscous flow and ISE.展开更多
Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for...Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for simulating solvation structures.However,mainstream force fields often lack accuracy in describing strong ion-solvent interactions,causing disparities between CMD simulations and experimental observations.Although some empirical methods have been employed in some of the studies to address this issue,their effectiveness has been limited.Our CMD research,supported by quantum chemical calculations and experimental data,reveals that the solvation structure is influenced not only by the charge model but also by the polarization description.Previous empirical approaches that focused solely on adjusting ion-solvent interaction strengths overlooked the importance of polarization effects.Building on this insight,we propose integrating the Drude polarization model into mainstream force fields and verify its feasibility in carbonate,ether,and nitrile electrolytes.Our experimental results demonstrate that this approach significantly enhances the accuracy of CMD-simulated solvation structures.This work is expected to provide a more reliable CMD method for electrolyte design,shielding researchers from the pitfalls of erroneous simulation outcomes.展开更多
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
In response to the deficiencies of commonly used optimization methods for assembly lines,a production demand-oriented optimization method for assembly lines is proposed.Taking a certain compressor assembly line as an ...In response to the deficiencies of commonly used optimization methods for assembly lines,a production demand-oriented optimization method for assembly lines is proposed.Taking a certain compressor assembly line as an example,the production rhythm and the number of workstations are calculated based on production requirements and working systems.With assembly rhythm and smoothing index as optimization goals,an improved particle swarm optimization algorithm is employed for process allocation.Subsequently,Flexsim simulation is used to analyze the assembly line.The final results show that after optimization using the improved particle swarm algorithm,the assembly line balance rate increased from 71.1%to 85.9%,and the assembly line smoothing index decreased from 47.4 to 29.8,significantly enhancing assembly efficiency.This demonstrates the effectiveness of the proposed optimization method for the assembly line and provides a reference for other products in the same industry.展开更多
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
Inclusions in nickel-based superalloys significantly influence their mechanical properties which limit the application and development.A two-dimensional axisymmetric model coupling electromagnetic flow,heat transfer,a...Inclusions in nickel-based superalloys significantly influence their mechanical properties which limit the application and development.A two-dimensional axisymmetric model coupling electromagnetic flow,heat transfer,and inclusions transport was developed using the finite element method.The effects of current intensity and frequency on the transport behavior of inclusions and removal rate during vacuum induction melting were investigated using this model.To verify the accuracy of the mathematical model,experiments were conducted using the vacuum induction furnace model VIF200.A comparison of the experimental results with the simulation results reveals an excellent agreement.Four eddies exist in the central section of the molten pool,with any two eddies flowing in opposite directions.The drag force exerted by the eddies causes the inclusions converge toward the four corners of the cut surface.Due to buoyancy,an increase in the particle size of inclusions makes it easier for them to be adsorbed by the free surface,a phenomenon that is particularly noticeable for inclusions with a particle size of 400μm.An increase in current intensity changes the adsorption interface of certain 400-μm inclusions from the free surface to the sidewall.Increasing both current intensity and frequency enhances the crucible removal rate of inclusions,with current intensity exerting a more significant effect,increasing the removal rate by approximately 1% for every 150 A.Upon completion of melting,the ingot is typically obtained by pouring or bottom pouring,and inclusions adsorbed to the free surface are difficult to separate.Therefore,higher current intensity and frequency should be employed during melting to enhance the crucible removal rate.展开更多
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
文摘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.
基金supported by the National Natural Science Foundation of China(Nos.U24A2088,42177130,42277174,and 42477166).
文摘As coal mining depth increases,the combined effects of high stress,mining stress,and fault structures make dynamic impact hazards more frequent.The reproduction of dynamic impact phenomena is basis for studying their occurrence patterns and control mechanisms.Physical simulation test represents an efficacious methodology.However,there is currently a lack of simulation devices that can effectively simulate two types of dynamic impact phenomena,including high stress and fault slip dynamic impact.To solve aforementioned issues,the physical simulation test system for dynamic impact in deep roadways developed by authors is employed to carry out comparative tests of high stress and fault slip dynamic impact.The phenomena of high stress and fault slip dynamic impact are reproduced successfully.A comparative analysis is conducted on dynamic phenomena,stress evolution,roadway deformation,and support force.The high stress dynamic impact roadway instability mode,which is characterized by the release of high energy accompanied by symmetric damage,and the fault slip dynamic impact roadway instability mode,which is characterized by the propagation of unilateral stress waves accompanied by asymmetric damage,are clarified.On the basis,the differentiated control concepts for different types of dynamic impact in deep roadways are proposed.
基金supported by the National Natural Science Foundation of China(Grant No.U21B2062)supported by the Key Laboratory for Carbonate Reservoirs of China National Petroleum Corporation。
文摘Burial dissolution is a critical diagenetic process influencing ultra-deep carbonate reservoir development and preservation.Artificial carbonate samples with different internal structures were prepared,and high-temperature and highpressure dissolution kinetic simulations were conducted.The results demonstrate that the intensity of burial dissolution is controlled by temperature and pressure,while tectonic-fluid activity influences the development pattern of burial dissolution,ultimately determining the direction of its differential modification.Extensive burial dissolution is likely to occur primarily at relatively shallow depths,significantly influencing reservoir formation,preservation,modification,and adjustment.The development of faults facilitates the maintenance of the intensity of burial dissolution.The maximum intensity of burial dissolution occurs at the tips and overlap zones of faults and intersections of multiple faults.The larger the scale of the faults,the more conducive it is to the development of burial dissolution.Burial dissolution fosters the formation of fault networks characterized by enhanced reservoir capacity and permeability.Burial dissolution controlled by episodic tectonic-fluid activity is a plausible explanation for forming the Tarim Basin's ultra-deep fault-controlled“stringbead-like”reservoirs.
基金supported by the National Natural Science Foundation of China (Nos. 42027801, 42072284, and 42372297)the National Key Research and Development Program of China (Nos. 2023YFC3012102 and 2021YFC2902004)the Fundamental Research Funds for the Central Universities (No. 2023ZKPYSH01)
文摘The intricate interplay between rock mechanics and fracture-induced fluid flow during resource extrac-tion exerts profound effects on groundwater systems,posing a pivotal challenge for promoting green and safe development in underground engineering.To address this,a novel numerical model with an explicit coupling simulation strategy is presented.This model integrates distinct modules for individual physical mechanisms,ensuring second-order accuracy through shared time integration,thereby overcoming lim-itations in simulating mining-induced strata damage,water flow,and permeability dynamics.A novel mathematical model is incorporated into the mechanical simulation to characterize the abrupt increase in permeability resulting from rock fracture propagation.This increase is quantified by evaluating the plastic damage state of rocks and incorporating a damage coefficient that is intrinsically linked to rock strength.The mechanical model tracks permeability changes due to mining.The flow model simulates aquifer-mine water interactions by calculating hydraulic conductivity and using dynamic zoning,adapt-ing to mining progress.When applied to a case study of a complex mine,this approach significantly improved the accuracy of water inflow rate predictions by 57%.
基金supported by the Guangdong Major Project of Basic and Applied Basic Research(Grant No.2021B0301030001)the National Key Research and Development Program of China(Grant No.2021YFB3802300)the Foundation of National Key Laboratory of Shock Wave and Detonation Physics(Grant No.JCKYS2022212004)。
文摘The graded density impactor(GDI)dynamic loading technique is crucial for acquiring the dynamic physical property parameters of materials used in weapons.The accuracy and timeliness of GDI structural design are key to achieving controllable stress-strain rate loading.In this study,we have,for the first time,combined one-dimensional fluid computational software with machine learning methods.We first elucidated the mechanisms by which GDI structures control stress and strain rates.Subsequently,we constructed a machine learning model to create a structure-property response surface.The results show that altering the loading velocity and interlayer thickness has a pronounced regulatory effect on stress and strain rates.In contrast,the impedance distribution index and target thickness have less significant effects on stress regulation,although there is a matching relationship between target thickness and interlayer thickness.Compared with traditional design methods,the machine learning approach offers a10^(4)—10^(5)times increase in efficiency and the potential to achieve a global optimum,holding promise for guiding the design of GDI.
基金Under the auspices of Zhejiang Provincial Natural Science Foundation of China(No.LY19C160007)。
文摘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.
文摘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%.
文摘This special issue focuses on simulation optimization(SO),which combines stochastic simulation with optimization techniques to address complex decisionmaking problems under uncertainty.SO has gained increasing importance in areas such as transportation,supply chain and manufacturing,providing solutions where traditional analytical methods may fail.Recent advances in computing,data analytics,and artificial intelligence have significantly enhanced the efficiency and capability of SO methods,enabling the development of innovative techniques.This special issue aims to highlight recent theoretical and practical advancements in SO,showcasing its potential to solve real-world problems and inspiring further research and application in this dynamic field.
文摘Gassy soils are distributed in relatively shallow layers the Quaternary deposit in Hangzhou Bay area. The shallow gassy soils significantly affect the construction of underground projects. Proper characterization of spatial distribution of shallow gassy soils is indispensable prior to construction of underground projects in the area. Due to the costly conditions required in the site investigation for gassy soils, only a limited number of gas pressure data can be obtained in engineering practice, which leads to the uncertainty in characterizing spatial distribution of gassy soils. Determining the number of boreholes for investigating gassy soils and their corresponding locations is pivotal to reducing construction risk induced by gassy soils. However, this primarily relies on the engineering experience in the current site investigation practice. This study develops a probabilistic site investigation optimization method for planning investigation schemes (including the number and locations of boreholes) of gassy soils based on the conditional random field and Monte Carlo simulation. The proposed method aims to provide an optimal investigation scheme before the site investigation based on prior knowledge. Finally, the proposed approach is illustrated using a case study.
基金supported by the National Natural Science Foundation of China(22438005,22108117).
文摘Self-assembly of block copolymers(BCPs)is highly intricate and is adsorbing extensive experimental and simulation efforts to reveal it for maximizing structural order and device performances.The coarse-grained(CG)molecular dynamics(MD)simulation offers a microscopic angle to view the self-assembly of BCPs.Although some molecular details are sacrificed during CG processes,this method exhibits remarkable computational efficiency.In this study,a comprehensive CG model for polystyrene-block-poly(2-vinylpyridine),PS-b-P2VP,one of the most extensively studied BCPs for its high Flory-Huggins interaction parameter,is constructed,with parameters optimized using target values derived from all-atom MD simulations.The CG model precisely coincides with various classical self-assembling morphologies observed in experimental studies,matching the theoretical phase diagrams.Moreover,the conformational asymmetry of the experimental phase diagram is also clearly revealed by our simulation results,and the phase boundaries obtained from simulations are highly consistent with experimental results.The CG model is expected to extend to simulate the self-assembly behaviors of other BCPs in addition to PS-b-P2VP,thus increasing understanding of the microphase separation of BCPs from the molecular level.
基金co-supported by the National Natural Science Foundation of China(Nos.52105411,52105400and 52305420)the China Postdoctoral Science Foundation(No.2023M742830)Innovation Foundation for Doctor Dissertation of Northwestern Polytechnical University(No.CX2023008).
文摘In this study,a new linear friction welding(LFW)process,embedded LFW process,was put forward,which was mainly applied to combination manufacturing of long or overlong loadcarrying titanium alloy structural components in aircraft.The interfacial plastic flow behavior and bonding mechanism of this process were investigated by a developed coupling EulerianLagrangian numerical model using software ABAQUS and a novel thermo-physical simulation method with designed embedded hot compression specimen.In addition,the formation mechanism and control method of welding defects caused by uneven plastic flow were discussed.The results reveal that the plastic flow along oscillating direction of this process is even and sufficient.In the direction perpendicular to oscillation,thermo-plastic metals mainly flow downward along welding interface under coupling of shear stress and interfacial pressure,resulting in the interfacial plastic zone shown as an inverted“V”shape.The upward plastic flow in this direction is relatively weak,and only a small amount of flash is extruded from top of joint.Moreover,the wedge block and welding components at top of joint are always in un-steady friction stage,leading to nonuniform temperature field distribution and un-welded defects.According to the results of numerical simulation,high oscillating frequency combined with low pressure and small amplitude is considered as appropriate parameter selection scheme to improve the upward interfacial plastic flow at top of joint and suppress the un-welded defects.The results of thermo-physical simulation illustrate that continuous dynamic recrystallization(CDRX)induces the bonding of interface,accompanying by intense dislocation movement and creation of many low-angle grain boundaries.In the interfacial bonding area,grain orientation is random with relatively low texture density(5.0 mud)owing to CDRX.
文摘The detection of unexploded ordnance(UXO)is critical for battlefield clearance and civilian safety.This study presents the development of a software for automated simulation based on the high frequency structure simulator(HFSS)and the MATLAB application programming interface(API),which together form the HFSS-MATLAB-API.This interface enables control over HFSS and conducts frequency-domain electromagnetic simulations for various types of UXO,including anti-tank mines,grenades,mortars,and aerial bombs.The software automates modelling,solving,data extraction,and analysis through MATLAB,enhancing the efficiency of simulation and enabling flexible settings for target models,coil parameters,and subsurface media.The research utilizes numerical simulation methods to analyze the response characteristics of different types of UXO in electromagnetic induction and explores the impact of the rotation angle of the target model on the attenuation characteristics of the measurement line.The results indicate that the electromagnetic response of UXO varies significantly based on type,burial depth,and spatial orientation.The findings provide a theoretical foundation for the electromagnetic detection,target identification,and classification of UXO.
文摘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.
基金supported by the National Natural Science Foundation of China (Grant Nos.11925201,and 11988102)the National Key R&D Program of China (Grant No.2020YFE0204200)the Xplore Prize.Numerical simulations were carried out on the TH-2A supercomputer in Guangzhou,China.
文摘We propose a hybrid quantum-classical method,the quantum-enriched large eddy simulation(QELES),for simulating turbulence.The QELES combines the large-scale motion of the large eddy simulation(LES)and the subgrid motion of the incompressible Schrodinger flow(ISF).The ISF is a possible way to be simulated on a quantum computer,and it generates subgrid scale turbu-lent structures to enrich the LES field.The enriched LES field can be further used in turbulent combustion and multi-phase flows in which the subgrid scale motion plays an important role.As a conceptual study,we perform the simulations of ISF and LES separately on a classical computer to simulate decaying homogeneous isotropic turbulence.Then,the QEI ES velocity is obtained by the time matching and the spectral blending methods.The QEL ES achieves significant improvement in predicting the energy spectrum,probaility density functions of velocity and vorticity components,and velocity structure functions,and reconstructs coherent small-scales vortices in the direct numerical simulation(DNS).On the other hand,the vortices in the QELES are less elongated and tangled than those in the DNS,and the magnitude of the third-order structure function in the QELES is less than that in the DNS,due to the diferent constitutive relations in the viscous flow and ISE.
基金supported by the Science and Technology Project of State Grid Corporation of China(5419-202199552A-0-5-ZN).
文摘Explorations into new electrolytes have highlighted the critical impact of solvation structure on battery performance,Classical molecular dynamics(CMD)using semi-empirical force fields has become an essential tool for simulating solvation structures.However,mainstream force fields often lack accuracy in describing strong ion-solvent interactions,causing disparities between CMD simulations and experimental observations.Although some empirical methods have been employed in some of the studies to address this issue,their effectiveness has been limited.Our CMD research,supported by quantum chemical calculations and experimental data,reveals that the solvation structure is influenced not only by the charge model but also by the polarization description.Previous empirical approaches that focused solely on adjusting ion-solvent interaction strengths overlooked the importance of polarization effects.Building on this insight,we propose integrating the Drude polarization model into mainstream force fields and verify its feasibility in carbonate,ether,and nitrile electrolytes.Our experimental results demonstrate that this approach significantly enhances the accuracy of CMD-simulated solvation structures.This work is expected to provide a more reliable CMD method for electrolyte design,shielding researchers from the pitfalls of erroneous simulation outcomes.
基金supported by the National Natural Science Foundation of China(Grant Nos.42477185,41602308)the Zhejiang Provincial Natural Science Foundation of China(Grant No.LY20E080005)the Postgraduate Course Construction Project of Zhejiang University of Science and Technology(Grant No.2021yjskj05).
文摘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.
文摘In response to the deficiencies of commonly used optimization methods for assembly lines,a production demand-oriented optimization method for assembly lines is proposed.Taking a certain compressor assembly line as an example,the production rhythm and the number of workstations are calculated based on production requirements and working systems.With assembly rhythm and smoothing index as optimization goals,an improved particle swarm optimization algorithm is employed for process allocation.Subsequently,Flexsim simulation is used to analyze the assembly line.The final results show that after optimization using the improved particle swarm algorithm,the assembly line balance rate increased from 71.1%to 85.9%,and the assembly line smoothing index decreased from 47.4 to 29.8,significantly enhancing assembly efficiency.This demonstrates the effectiveness of the proposed optimization method for the assembly line and provides a reference for other products in the same industry.
基金supported by the Special Fund of the Institute of Geophysics,China Earthquake Administration(Nos.DQJB23R28 and DQJB22K40)the National Natural Science Foundation of China(Nos.42304078,U1839210 and 42104043).
文摘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.
基金financially supported by the National Natural Science Foundation of China(Nos.52422408 and 52171031)Excellent Youth Fund of Liaoning Natural Science Foundation(No.2023JH3/10200001)Liaoning Xingliao Talents-Top-notch Young Talents Project(No.XLYC2203064).
文摘Inclusions in nickel-based superalloys significantly influence their mechanical properties which limit the application and development.A two-dimensional axisymmetric model coupling electromagnetic flow,heat transfer,and inclusions transport was developed using the finite element method.The effects of current intensity and frequency on the transport behavior of inclusions and removal rate during vacuum induction melting were investigated using this model.To verify the accuracy of the mathematical model,experiments were conducted using the vacuum induction furnace model VIF200.A comparison of the experimental results with the simulation results reveals an excellent agreement.Four eddies exist in the central section of the molten pool,with any two eddies flowing in opposite directions.The drag force exerted by the eddies causes the inclusions converge toward the four corners of the cut surface.Due to buoyancy,an increase in the particle size of inclusions makes it easier for them to be adsorbed by the free surface,a phenomenon that is particularly noticeable for inclusions with a particle size of 400μm.An increase in current intensity changes the adsorption interface of certain 400-μm inclusions from the free surface to the sidewall.Increasing both current intensity and frequency enhances the crucible removal rate of inclusions,with current intensity exerting a more significant effect,increasing the removal rate by approximately 1% for every 150 A.Upon completion of melting,the ingot is typically obtained by pouring or bottom pouring,and inclusions adsorbed to the free surface are difficult to separate.Therefore,higher current intensity and frequency should be employed during melting to enhance the crucible removal rate.
基金supported by the Zhejiang Provincial Key Research and Development Program of China(No.2020C01020).
文摘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.
