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
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
Dominant technology formation is the key for the hightech industry to“cross the chasm”and gain an established foothold in the market(and hence disrupt the regime).Therefore,a stimulus-response model is proposed to i...Dominant technology formation is the key for the hightech industry to“cross the chasm”and gain an established foothold in the market(and hence disrupt the regime).Therefore,a stimulus-response model is proposed to investigate the dominant technology by exploring its formation process and mechanism.Specifically,based on complex adaptive system theory and the basic stimulus-response model,we use a combination of agent-based modeling and system dynamics modeling to capture the interactions between dominant technology and the socio-technical landscape.The results indicate the following:(i)The dynamic interaction is“stimulus-reaction-selection”,which promotes the dominant technology’s formation.(ii)The dominant technology’s formation can be described as a dynamic process in which the adaptation intensity of technology standards increases continuously until it becomes the leading technology under the dual action of internal and external mechanisms.(iii)The dominant technology’s formation in the high-tech industry is influenced by learning ability,the number of adopting users and adaptability.Therein,a“critical scale”of learning ability exists to promote the formation of leading technology:a large number of adopting users can promote the dominant technology’s formation by influencing the adaptive response of technology standards to the socio-technical landscape and the choice of technology standards by the socio-technical landscape.There is a minimum threshold and a maximum threshold for the role of adaptability in the dominant technology’s formation.(iv)The socio-technical landscape can promote the leading technology’s shaping in the high-tech industry,and different elements have different effects.This study promotes research on the formation mechanism of dominant technology in the high-tech industry,presents new perspectives and methods for researchers,and provides essential enlightenment for managers to formulate technology strategies.展开更多
The advantages of a flat-panel X-ray source(FPXS)make it a promising candidate for imaging applications.Accurate imaging-system modeling and projection simulation are critical for analyzing imaging performance and res...The advantages of a flat-panel X-ray source(FPXS)make it a promising candidate for imaging applications.Accurate imaging-system modeling and projection simulation are critical for analyzing imaging performance and resolving overlapping projection issues in FPXS.The conventional analytical ray-tracing approach is limited by the number of patterns and is not applicable to FPXS-projection calculations.However,the computation time of Monte Carlo(MC)simulation is independent of the size of the patterned arrays in FPXS.This study proposes two high-efficiency MC projection simulators for FPXS:a graphics processing unit(GPU)-based phase-space sampling MC(gPSMC)simulator and GPU-based fluence sampling MC(gFSMC)simulator.The two simulators comprise three components:imaging-system modeling,photon initialization,and physical-interaction simulations in the phantom.Imaging-system modeling was performed by modeling the FPXS,imaging geometry,and detector.The gPSMC simulator samples the initial photons from the phase space,whereas the gFSMC simulator performs photon initialization from the calculated energy spectrum and fluence map.The entire process of photon interaction with the geometry and arrival at the detector was simulated in parallel using multiple GPU kernels,and projections based on the two simulators were calculated.The accuracies of the two simulators were evaluated by comparing them with the conventional analytical ray-tracing approach and acquired projections,and the efficiencies were evaluated by comparing the computation time.The results of simulated and realistic experiments illustrate the accuracy and efficiency of the proposed gPSMC and gFSMC simulators in the projection calculation of various phantoms.展开更多
In this paper,a statistical cluster-based simulation channel model with a finite number of sinusoids is proposed for depicting the multiple-input multiple-output(MIMO)communications in vehicleto-everything(V2X)environ...In this paper,a statistical cluster-based simulation channel model with a finite number of sinusoids is proposed for depicting the multiple-input multiple-output(MIMO)communications in vehicleto-everything(V2X)environments.In the proposed sum-of-sinusoids(SoS)channel model,the waves that emerge from the transmitter undergo line-of-sight(LoS)and non-line-of-sight(NLoS)propagation to the receiver,which makes the model suitable for describing numerous V2X wireless communication scenarios for sixth-generation(6G).We derive expressions for the real and imaginary parts of the complex channel impulse response(CIR),which characterize the physical propagation characteristics of V2X wireless channels.The statistical properties of the real and imaginary parts of the complex CIRs,i.e.,autocorrelation functions(ACFs),Doppler power spectral densities(PSDs),cross-correlation functions(CCFs),and variances of ACFs and CCFs,are derived and discussed.Simulation results are generated and match those predicted by the underlying theory,demonstrating the accuracy of our derivation and analysis.The proposed framework and underlying theory arise as an efficient tool to investigate the statistical properties of 6G MIMO V2X communication systems.展开更多
The 2025 M_(w)7.7 Myanmar earthquake highlighted the challenge of near-fault seismic intensity field reconstruction due to sparse seismic networks.To address this limitation,a framework was proposed integrating seismi...The 2025 M_(w)7.7 Myanmar earthquake highlighted the challenge of near-fault seismic intensity field reconstruction due to sparse seismic networks.To address this limitation,a framework was proposed integrating seismic wave simulation with a data-constrained finite-fault rupture model.The constraint is implemented by identifying the optimal ground motion models(GMMs)through a scoring system that selects the best-fit GMMs to mid-and far-field China Earthquake Networks Center(CENC)seismic network data;and applying the optimal GMMs to refine the rupture model parameters for near-fault intensity field simulation.The simulated near-fault seismic intensity field reproduces seismic intensities collected from Myanmar’s sparse seismic network and concentrated in≥Ⅷintensity zones within 50 km of the projected fault plane;and identifies abnormal intensity regions exhibiting≥Ⅹintensity along the Meiktila-Naypyidaw corridor and near Shwebo that are attributed to soft soil amplification effects and near-fault directivity.This framework can also be applied to post-earthquake assessments in other similar regions.展开更多
In the R&D phase of Gravity-1(YL-1), a multi-domain modeling and simulation technology based on Modelica language was introduced, which was a recent attempt in the practice of modeling and simulation method for la...In the R&D phase of Gravity-1(YL-1), a multi-domain modeling and simulation technology based on Modelica language was introduced, which was a recent attempt in the practice of modeling and simulation method for launch vehicles in China. It realizes a complex coupling model within a unified model for different domains, so that technologists can work on one model. It ensured the success of YL-1 first launch mission, supports rapid iteration, full validation, and tight design collaboration.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
To address the limitations of existing coupling methods in aero-engine system simulation,which fail to adaptively adjust iterative parameters and coupling relationships,which can result in low efficiency and in⁃stabil...To address the limitations of existing coupling methods in aero-engine system simulation,which fail to adaptively adjust iterative parameters and coupling relationships,which can result in low efficiency and in⁃stability,this study introduces a‘Dynamic Event-Driven Co-Simulation’algorithm integrated with decision tree algorithms.This algorithm separates the overall coupling relationships and the main solver from the primary mod⁃el,utilizing a dynamic event monitoring module to adaptively adjust simulation strategies,including iteration pa⁃rameters,coupling relationships,and convergence criteria.This facilitates efficient adaptive simulations of dy⁃namic events while balancing solution accuracy and computational efficiency.The research focuses on a twinshaft turbofan engine,establishing six system-level models that encompass overall performance and various sub⁃systems based on three coupling methods,along with a multidisciplinary multi-fidelity simulation framework in⁃corporating a 3D CFD nozzle model.The study tests both model exchange and coupled simulation methods under a 14 s transient acceleration and deceleration scenario.In a 100%throttle condition,a high-fidelity nozzle model is used to analyze the sensitivity of different convergence criteria on computational efficiency and accuracy.Re⁃sults indicate that the accuracy and efficiency achieved with this method are comparable to those of PROOSIS soft⁃ware(18 s and 35 s,respectively),while being 71%more efficient than Simulink software(62 s and 120 s,re⁃spectively).Furthermore,appropriately relaxing the convergence criteria for the 0D model(from 10-6 to 10-4)while enhancing those for the 3D model(from 3000 steps to 6000 steps)can effectively balance computational accuracy and efficiency.展开更多
Land use/cover change(LUCC)constitutes the spatial and temporal patterns of ecological security,and the construction of ecological networks is an effective way to ensure ecological security.Exploring the spatial and t...Land use/cover change(LUCC)constitutes the spatial and temporal patterns of ecological security,and the construction of ecological networks is an effective way to ensure ecological security.Exploring the spatial and temporal change characteristics of ecological network and analyzing the integrated relationship between LUCC and ecological security are crucial for ensuring regional ecological security.Gansu is one of the provinces with fragile ecological environment in China,and rapid changes in land use patterns in recent decades have threatened ecological security.Therefore,taking Gansu Province as the study area,this study simulated its land use pattern in 2050 using patch-generating land use simulation(PLUS)model based on the LUCC trend from 2000 to 2020 and integrated the LUCC into morphological spatial pattern analysis(MSPA)to identify ecological sources and extract the ecological corridors to construct ecological network using circuit theory.The results revealed that,according to the prediction results in 2050,the areas of cultivated land,forest land,grassland,water body,construction land,and unused land would be 63,447.52,39,510.80,148,115.18,4605.21,8368.89,and 161,752.40 km^(2),respectively.The number of ecological sources in Gansu Province would increase to 80,with a total area of 99,927.18 km^(2).The number of ecological corridors would increase to 191,with an estimated total length of 6120.66 km.Both ecological sources and ecological corridors showed a sparse distribution in the northwest and dense distribution in the southeast of the province at the spatial scale.The number of ecological pinch points would reach 312 and the total area would expect to increase to 842.84 km^(2),with the most pronounced increase in the Longdong region.Compared with 2020,the number and area of ecological barriers in 2050 would decrease significantly by 63 and 370.71 km^(2),respectively.In general,based on the prediction results,the connectivity of ecological network of Gansu Province would increase in 2050.To achieve the predicted ecological network in 2050,emphasis should be placed on the protection of cultivated land and ecological land,the establishment of ecological sources in desert areas,the reinforcement of the protection for existing ecological sources,and the construction of ecological corridors to enhance the stability of ecological network.This study provides valuable theoretical support and references for the future construction of ecological networks and regional land resource management decision-making.展开更多
This work aims at the mathematical modeling of a parabolic trough concentrator, the numerical resolution of the resulting equation, as well as the simulation of the heat transfer fluid heating process. To do this, a t...This work aims at the mathematical modeling of a parabolic trough concentrator, the numerical resolution of the resulting equation, as well as the simulation of the heat transfer fluid heating process. To do this, a thermal balance was established for the heat transfer fluid, the absorber and the glass. This allowed us to establish an equation system whose resolution was done by the finite difference method. Then, a computer program was developed to simulate the temperatures of the heat transfer fluid, the absorber tube and the glass as a function of time and space. The numerical resolution made it possible to obtain the temperatures of the heat transfer fluid, the absorber and the glass. The simulation of the fluid heating process was done in one-hour time steps, from six in the morning to six in the afternoon. The results obtained show that the temperature difference between the inlet and the outlet of the sensor is very significant. These results obtained, regarding the variation of the temperatures of the heat transfer fluid, the absorber and the glass, as well as the powers and efficiency of the parabolic trough concentrator and various factors, allow for the improvement of the performances of our prototype.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
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
Computer simulation permits answering theoretical and applied questions in animal and plant breeding.Blib is a novel multi-module simulation platform,which is able to handle more complicated genetic effects and models...Computer simulation permits answering theoretical and applied questions in animal and plant breeding.Blib is a novel multi-module simulation platform,which is able to handle more complicated genetic effects and models than most existing tools.In this study,we describe one major and unified application module of Blib,i.e.,ISB(abbreviated from in silico breeding),for simulating the three categories of breeding programs for developing clonal,pure-line and hybrid cultivars in plants.Genetic models on environments and breeding-targeted traits,one or several parental populations,and a number of breeding methods are key elements to run simulation experiments in ISB,which are arranged in three external input files by given formats.Applications of ISB are illustrated by three case studies,representing the three categories of plant breeding programs.Under the condition that 5000 F1 progenies were generated and tested from 50 heterozygous parents,Case study I showed that 50 crosses,each of 100 progenies,made the best balance between genetic achievement and field cost.In Case study II,one optimum breeding method was identified by which the pure lines with high yield and medium maturity could be developed.Case study III investigated the genetic consequence in hybrid breeding from five testers.One tester was identified for the simultaneous improvement in F1 hybrids and inbred lines.In summary,ISB identified a balanced crossing scheme,an optimum pure-line selection method,and an optimized tester in three case studies which are relevant to plant breeding.We believe the prediction by simulation would be highly required in front of the next generation of breeding to be driven by informatics and intelligence.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
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
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
Erosion in slurry pumps presents a persistent challenge in industrial applications.This study examines the erosion of the static components of a 150ZJ-C42 centrifugal slurry pump,currently in operation at a beneficiat...Erosion in slurry pumps presents a persistent challenge in industrial applications.This study examines the erosion of the static components of a 150ZJ-C42 centrifugal slurry pump,currently in operation at a beneficiation plant,under varying particle conditions.Utilizing high-precision three-dimensional reverse engineering,the pump’s flow passage geometry was reconstructed to facilitate detailed erosion analysis.Focusing on the front and rear baffles of the pump chamber,as well as the volute,erosion patterns were analyzed for different particle volume concentrations and sizes.The results reveal that the highest erosion damage consistently occurs near the volute tongue,with wear being most severe in regions adjacent to the partition plate near the rear cover.Erosion damage intensity in this area correlates positively with particle diameter.Notably,the average erosion rate in the volute surpasses that of the front and rear chamber liners,reaching a value as high as 6.03×10^(-7)kg·m^(-2)·s^(-1)at a particle concentration of 9%and diameter of 0.1 mm,adversely impacting pump stability.For the pump chamber baffles,increased erosion is observed at a particle diameter of 0.05 mm under constant volume concentration conditions,while higher particle concentrations exacerbate localized erosion.展开更多
The acetylpolyamine oxidase(APAO),spermine oxidase(SMO),and spermidine/spermine N1-acetyltransferase(SSAT)are pivotal enzymes in polyamine metabolism,exerting direct influence on polyamine homeostasis regulation.Dysfu...The acetylpolyamine oxidase(APAO),spermine oxidase(SMO),and spermidine/spermine N1-acetyltransferase(SSAT)are pivotal enzymes in polyamine metabolism,exerting direct influence on polyamine homeostasis regulation.Dysfunctions in these enzymes are intricately linked to inflammatory diseases and cancers.Establishing their three-dimensional structures is essential for exploring enzymatic catalytic mechanisms and designing inhibitors at the atomic level.This article primarily assesses the precision of AlphaFold2 and molecular dynamics simulations in determining the three-dimensional structures of these enzymes,utilizing protein conformation rationality assessment,residue correlation matrix,and other techniques.This provides robust models for subsequent polyamine catabolic metabolism calculations and offers valuable insights for modeling proteins that have yet to acquire crystal structures.展开更多
Channel characterization and modeling are fundamental to communication system design,development,testing,and deployment.As the innate digital twins of wireless channels,channel models replicate real-world channel beha...Channel characterization and modeling are fundamental to communication system design,development,testing,and deployment.As the innate digital twins of wireless channels,channel models replicate real-world channel behaviors,e.g.,large-scale/small-scale fading,spatio-temporal-frequency non-stationarity,through mathematical and data-driven methods.This enables simulation-based validation across system development stages—from protocol design to network optimization-without costly physical testing.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Project supported by the National Natural Science Foundation of China(Nos.62266030 and 61863025)。
文摘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.
基金supported by the Shanghai Philosophy and Social Science Foundation(2022ECK004)Shanghai Soft Science Research Project(23692123400)。
文摘Dominant technology formation is the key for the hightech industry to“cross the chasm”and gain an established foothold in the market(and hence disrupt the regime).Therefore,a stimulus-response model is proposed to investigate the dominant technology by exploring its formation process and mechanism.Specifically,based on complex adaptive system theory and the basic stimulus-response model,we use a combination of agent-based modeling and system dynamics modeling to capture the interactions between dominant technology and the socio-technical landscape.The results indicate the following:(i)The dynamic interaction is“stimulus-reaction-selection”,which promotes the dominant technology’s formation.(ii)The dominant technology’s formation can be described as a dynamic process in which the adaptation intensity of technology standards increases continuously until it becomes the leading technology under the dual action of internal and external mechanisms.(iii)The dominant technology’s formation in the high-tech industry is influenced by learning ability,the number of adopting users and adaptability.Therein,a“critical scale”of learning ability exists to promote the formation of leading technology:a large number of adopting users can promote the dominant technology’s formation by influencing the adaptive response of technology standards to the socio-technical landscape and the choice of technology standards by the socio-technical landscape.There is a minimum threshold and a maximum threshold for the role of adaptability in the dominant technology’s formation.(iv)The socio-technical landscape can promote the leading technology’s shaping in the high-tech industry,and different elements have different effects.This study promotes research on the formation mechanism of dominant technology in the high-tech industry,presents new perspectives and methods for researchers,and provides essential enlightenment for managers to formulate technology strategies.
文摘The advantages of a flat-panel X-ray source(FPXS)make it a promising candidate for imaging applications.Accurate imaging-system modeling and projection simulation are critical for analyzing imaging performance and resolving overlapping projection issues in FPXS.The conventional analytical ray-tracing approach is limited by the number of patterns and is not applicable to FPXS-projection calculations.However,the computation time of Monte Carlo(MC)simulation is independent of the size of the patterned arrays in FPXS.This study proposes two high-efficiency MC projection simulators for FPXS:a graphics processing unit(GPU)-based phase-space sampling MC(gPSMC)simulator and GPU-based fluence sampling MC(gFSMC)simulator.The two simulators comprise three components:imaging-system modeling,photon initialization,and physical-interaction simulations in the phantom.Imaging-system modeling was performed by modeling the FPXS,imaging geometry,and detector.The gPSMC simulator samples the initial photons from the phase space,whereas the gFSMC simulator performs photon initialization from the calculated energy spectrum and fluence map.The entire process of photon interaction with the geometry and arrival at the detector was simulated in parallel using multiple GPU kernels,and projections based on the two simulators were calculated.The accuracies of the two simulators were evaluated by comparing them with the conventional analytical ray-tracing approach and acquired projections,and the efficiencies were evaluated by comparing the computation time.The results of simulated and realistic experiments illustrate the accuracy and efficiency of the proposed gPSMC and gFSMC simulators in the projection calculation of various phantoms.
基金supported by National Natural Science Foundation of China(NSFC)(No.62101274 and 62101275)Natural Science Foundation of Jiangsu Province(BK20210640)Open Research Fund of National Mobile Communications Research Laboratory Southeast University under Grant 2021D03。
文摘In this paper,a statistical cluster-based simulation channel model with a finite number of sinusoids is proposed for depicting the multiple-input multiple-output(MIMO)communications in vehicleto-everything(V2X)environments.In the proposed sum-of-sinusoids(SoS)channel model,the waves that emerge from the transmitter undergo line-of-sight(LoS)and non-line-of-sight(NLoS)propagation to the receiver,which makes the model suitable for describing numerous V2X wireless communication scenarios for sixth-generation(6G).We derive expressions for the real and imaginary parts of the complex channel impulse response(CIR),which characterize the physical propagation characteristics of V2X wireless channels.The statistical properties of the real and imaginary parts of the complex CIRs,i.e.,autocorrelation functions(ACFs),Doppler power spectral densities(PSDs),cross-correlation functions(CCFs),and variances of ACFs and CCFs,are derived and discussed.Simulation results are generated and match those predicted by the underlying theory,demonstrating the accuracy of our derivation and analysis.The proposed framework and underlying theory arise as an efficient tool to investigate the statistical properties of 6G MIMO V2X communication systems.
基金Scientific Research Fund of Institute of Engineering Mechanics,China Earthquake Administration under Grant No.2023C01National Natural Science Foundation of China under Grant No.52478570Distinguished Young Scholars Program of the Natural Science Foundation of Heilongjiang Province,China under Grant No.JQ2024E002。
文摘The 2025 M_(w)7.7 Myanmar earthquake highlighted the challenge of near-fault seismic intensity field reconstruction due to sparse seismic networks.To address this limitation,a framework was proposed integrating seismic wave simulation with a data-constrained finite-fault rupture model.The constraint is implemented by identifying the optimal ground motion models(GMMs)through a scoring system that selects the best-fit GMMs to mid-and far-field China Earthquake Networks Center(CENC)seismic network data;and applying the optimal GMMs to refine the rupture model parameters for near-fault intensity field simulation.The simulated near-fault seismic intensity field reproduces seismic intensities collected from Myanmar’s sparse seismic network and concentrated in≥Ⅷintensity zones within 50 km of the projected fault plane;and identifies abnormal intensity regions exhibiting≥Ⅹintensity along the Meiktila-Naypyidaw corridor and near Shwebo that are attributed to soft soil amplification effects and near-fault directivity.This framework can also be applied to post-earthquake assessments in other similar regions.
文摘In the R&D phase of Gravity-1(YL-1), a multi-domain modeling and simulation technology based on Modelica language was introduced, which was a recent attempt in the practice of modeling and simulation method for launch vehicles in China. It realizes a complex coupling model within a unified model for different domains, so that technologists can work on one model. It ensured the success of YL-1 first launch mission, supports rapid iteration, full validation, and tight design collaboration.
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To address the limitations of existing coupling methods in aero-engine system simulation,which fail to adaptively adjust iterative parameters and coupling relationships,which can result in low efficiency and in⁃stability,this study introduces a‘Dynamic Event-Driven Co-Simulation’algorithm integrated with decision tree algorithms.This algorithm separates the overall coupling relationships and the main solver from the primary mod⁃el,utilizing a dynamic event monitoring module to adaptively adjust simulation strategies,including iteration pa⁃rameters,coupling relationships,and convergence criteria.This facilitates efficient adaptive simulations of dy⁃namic events while balancing solution accuracy and computational efficiency.The research focuses on a twinshaft turbofan engine,establishing six system-level models that encompass overall performance and various sub⁃systems based on three coupling methods,along with a multidisciplinary multi-fidelity simulation framework in⁃corporating a 3D CFD nozzle model.The study tests both model exchange and coupled simulation methods under a 14 s transient acceleration and deceleration scenario.In a 100%throttle condition,a high-fidelity nozzle model is used to analyze the sensitivity of different convergence criteria on computational efficiency and accuracy.Re⁃sults indicate that the accuracy and efficiency achieved with this method are comparable to those of PROOSIS soft⁃ware(18 s and 35 s,respectively),while being 71%more efficient than Simulink software(62 s and 120 s,re⁃spectively).Furthermore,appropriately relaxing the convergence criteria for the 0D model(from 10-6 to 10-4)while enhancing those for the 3D model(from 3000 steps to 6000 steps)can effectively balance computational accuracy and efficiency.
基金supported by the Science Fund for the Gansu Provincial Natural Science Foundation Project(22JR5RA339).
文摘Land use/cover change(LUCC)constitutes the spatial and temporal patterns of ecological security,and the construction of ecological networks is an effective way to ensure ecological security.Exploring the spatial and temporal change characteristics of ecological network and analyzing the integrated relationship between LUCC and ecological security are crucial for ensuring regional ecological security.Gansu is one of the provinces with fragile ecological environment in China,and rapid changes in land use patterns in recent decades have threatened ecological security.Therefore,taking Gansu Province as the study area,this study simulated its land use pattern in 2050 using patch-generating land use simulation(PLUS)model based on the LUCC trend from 2000 to 2020 and integrated the LUCC into morphological spatial pattern analysis(MSPA)to identify ecological sources and extract the ecological corridors to construct ecological network using circuit theory.The results revealed that,according to the prediction results in 2050,the areas of cultivated land,forest land,grassland,water body,construction land,and unused land would be 63,447.52,39,510.80,148,115.18,4605.21,8368.89,and 161,752.40 km^(2),respectively.The number of ecological sources in Gansu Province would increase to 80,with a total area of 99,927.18 km^(2).The number of ecological corridors would increase to 191,with an estimated total length of 6120.66 km.Both ecological sources and ecological corridors showed a sparse distribution in the northwest and dense distribution in the southeast of the province at the spatial scale.The number of ecological pinch points would reach 312 and the total area would expect to increase to 842.84 km^(2),with the most pronounced increase in the Longdong region.Compared with 2020,the number and area of ecological barriers in 2050 would decrease significantly by 63 and 370.71 km^(2),respectively.In general,based on the prediction results,the connectivity of ecological network of Gansu Province would increase in 2050.To achieve the predicted ecological network in 2050,emphasis should be placed on the protection of cultivated land and ecological land,the establishment of ecological sources in desert areas,the reinforcement of the protection for existing ecological sources,and the construction of ecological corridors to enhance the stability of ecological network.This study provides valuable theoretical support and references for the future construction of ecological networks and regional land resource management decision-making.
文摘This work aims at the mathematical modeling of a parabolic trough concentrator, the numerical resolution of the resulting equation, as well as the simulation of the heat transfer fluid heating process. To do this, a thermal balance was established for the heat transfer fluid, the absorber and the glass. This allowed us to establish an equation system whose resolution was done by the finite difference method. Then, a computer program was developed to simulate the temperatures of the heat transfer fluid, the absorber tube and the glass as a function of time and space. The numerical resolution made it possible to obtain the temperatures of the heat transfer fluid, the absorber and the glass. The simulation of the fluid heating process was done in one-hour time steps, from six in the morning to six in the afternoon. The results obtained show that the temperature difference between the inlet and the outlet of the sensor is very significant. These results obtained, regarding the variation of the temperatures of the heat transfer fluid, the absorber and the glass, as well as the powers and efficiency of the parabolic trough concentrator and various factors, allow for the improvement of the performances of our prototype.
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.
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 Biological Breeding-National Science and Technology Major Project(2023ZD0407501)National Natural Science Foundation of China(31861143003)Innovation Program of Chinese Academy of Agricultural Sciences.
文摘Computer simulation permits answering theoretical and applied questions in animal and plant breeding.Blib is a novel multi-module simulation platform,which is able to handle more complicated genetic effects and models than most existing tools.In this study,we describe one major and unified application module of Blib,i.e.,ISB(abbreviated from in silico breeding),for simulating the three categories of breeding programs for developing clonal,pure-line and hybrid cultivars in plants.Genetic models on environments and breeding-targeted traits,one or several parental populations,and a number of breeding methods are key elements to run simulation experiments in ISB,which are arranged in three external input files by given formats.Applications of ISB are illustrated by three case studies,representing the three categories of plant breeding programs.Under the condition that 5000 F1 progenies were generated and tested from 50 heterozygous parents,Case study I showed that 50 crosses,each of 100 progenies,made the best balance between genetic achievement and field cost.In Case study II,one optimum breeding method was identified by which the pure lines with high yield and medium maturity could be developed.Case study III investigated the genetic consequence in hybrid breeding from five testers.One tester was identified for the simultaneous improvement in F1 hybrids and inbred lines.In summary,ISB identified a balanced crossing scheme,an optimum pure-line selection method,and an optimized tester in three case studies which are relevant to plant breeding.We believe the prediction by simulation would be highly required in front of the next generation of breeding to be driven by informatics and intelligence.
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.
基金supported by the National Natural Science Foundation of China(Grant Nos.42475016,42192555 and 42305085)the China Postdoctoral Science Foundation(Grant No.2023M741615)the 2023 Graduate Research Innovation Project of Hunan Province(Grant No.CX20230011)。
文摘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.
基金Funded by the National Natural Science Foundation of China Academy of Engineering Physics and Jointly Setup"NSAF"Joint Fund(No.U1430119)。
文摘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.
基金The authors gratefully acknowledge the filnancial support of the National Natural Science Foundation of China(Grant No.52369018)the Major Training Program of University Research and Innovation Platform of Gansu Provincial Department of Education(No.2024CXPT-09)+1 种基金the Administration of Central Funds Guiding the Local Science and Technology Development,China(Grant No.23ZYQA0320)the Double First-Class Key Program of Gansu Provincial Department of Education,Grant No.GCJ2022-38.
文摘Erosion in slurry pumps presents a persistent challenge in industrial applications.This study examines the erosion of the static components of a 150ZJ-C42 centrifugal slurry pump,currently in operation at a beneficiation plant,under varying particle conditions.Utilizing high-precision three-dimensional reverse engineering,the pump’s flow passage geometry was reconstructed to facilitate detailed erosion analysis.Focusing on the front and rear baffles of the pump chamber,as well as the volute,erosion patterns were analyzed for different particle volume concentrations and sizes.The results reveal that the highest erosion damage consistently occurs near the volute tongue,with wear being most severe in regions adjacent to the partition plate near the rear cover.Erosion damage intensity in this area correlates positively with particle diameter.Notably,the average erosion rate in the volute surpasses that of the front and rear chamber liners,reaching a value as high as 6.03×10^(-7)kg·m^(-2)·s^(-1)at a particle concentration of 9%and diameter of 0.1 mm,adversely impacting pump stability.For the pump chamber baffles,increased erosion is observed at a particle diameter of 0.05 mm under constant volume concentration conditions,while higher particle concentrations exacerbate localized erosion.
基金National Natural Science Foundation of China(22073023)Natural Science Foundation of Henan Province(242300421134)+1 种基金the Young Backbone Teacher in Colleges and Universities of Henan Province(2021GGJS020)Foundation of State Key Laboratory of Antiviral Drugs。
文摘The acetylpolyamine oxidase(APAO),spermine oxidase(SMO),and spermidine/spermine N1-acetyltransferase(SSAT)are pivotal enzymes in polyamine metabolism,exerting direct influence on polyamine homeostasis regulation.Dysfunctions in these enzymes are intricately linked to inflammatory diseases and cancers.Establishing their three-dimensional structures is essential for exploring enzymatic catalytic mechanisms and designing inhibitors at the atomic level.This article primarily assesses the precision of AlphaFold2 and molecular dynamics simulations in determining the three-dimensional structures of these enzymes,utilizing protein conformation rationality assessment,residue correlation matrix,and other techniques.This provides robust models for subsequent polyamine catabolic metabolism calculations and offers valuable insights for modeling proteins that have yet to acquire crystal structures.
文摘Channel characterization and modeling are fundamental to communication system design,development,testing,and deployment.As the innate digital twins of wireless channels,channel models replicate real-world channel behaviors,e.g.,large-scale/small-scale fading,spatio-temporal-frequency non-stationarity,through mathematical and data-driven methods.This enables simulation-based validation across system development stages—from protocol design to network optimization-without costly physical testing.
