In order to reveal the mechanism of surface hydration differences for different types of montmorillonite crystals,the hydration processes of sodium,potassium,and calcium montmorillonite were simulated by molecular dyn...In order to reveal the mechanism of surface hydration differences for different types of montmorillonite crystals,the hydration processes of sodium,potassium,and calcium montmorillonite were simulated by molecular dynamics.These simulation results show that with the increase of the number of water molecules,the interlayer spacing of montmorillonite expands in a step-by-step manner,accompanied by volume expansion,decrease in density,and increase in self-diffusion coefficients of water molecules and cations.In addition,as the water molecular layer accumulates,the peak values of the radial distribution function between Na^(+)/K^(+)/Ca^(2+)ions and Ow/Hw(oxygen or hydrogen atoms in water molecules)gradually decrease.The degree of polymerization of water intensifies before decreasing,while the elastic modulus and acoustic velocity are gradually decreasing.It is worth noting that Na^(+)ion shows the highest tendency to hydrate,followed by Ca^(2+),and then K^(+).Among the cations studied,Ca^(2+)ion has the highest hydration coordination number,hydration number and hydration radius.As a result,calcium montmorillonite exhibits the widest intensity range and the largest acoustic velocity.These findings can provide references for engineering practices such as oil and gas exploration,tunnel excavation,slope stabilization,and deep geological disposal.展开更多
Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, w...Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, while neural networks struggle to represent underlying microscopic material properties. To overcome these challenges, a meso-micro scale numerical method using a virtual node approach is developed in this study. A Wbraid/Al/Epoxy functional structural material is fabricated, and a representative periodic unit cell is identified based on its architecture. The complex structure is then discretized into nodes, and mechanical interactions are governed by pre-defined computation rules. This virtual node method is systematically compared against both multiscale simulation and a neural network algorithm, with validation provided through mechanical experiments. The results demonstrate that the nodal operation strategy significantly reduces computational resource requirements. By quantifying microscopic bonding with coefficients, explicit interface treatment is avoided, granting the method strong adaptability to lattice materials. The method can simulate extremely complex structures using parameters from simple tests and is suited for large systems. Compared to three-point bending experiments, errors for multiscale, virtual node, and neural network methods were 12.4%, 6.9%, and 34.5%, respectively. Under dynamic compression, the errors were 2.7%, 9.3%, and 15.43%. The virtual node method demonstrated superior accuracy under static conditions, enabling efficient prediction and auxiliary development of complex structural materials.展开更多
This study proposes a multi-scale research approach that integrates micro-characterization experiments and 3D cellular automata(CA)simulations to investigate the intergranular corrosion(IGC)behavior of equiaxed grains...This study proposes a multi-scale research approach that integrates micro-characterization experiments and 3D cellular automata(CA)simulations to investigate the intergranular corrosion(IGC)behavior of equiaxed grains in the fusion zone(FZ)of laser-welded joints of Al-Cu-Li alloys under acidic conditions.Combined with microscopic characterizations such as SEM and TEM,the significant segregation phe-nomenon of grain boundaries in the FZ of the laser welded joint of 2195-T8 aluminum-lithium alloy was revealed,and the typical morphologies of IGC in the FZ under two different concentrations of nitric acid were compared.Compared to the traditional CA model,the proposed approach uses the Voronoi method combined with experimental characterization data to reconstruct a polycrystalline micro-structural model.For the first time,the effects of grain boundary segregation and localized corrosion intensity on corrosion morphologies were incorporated.A CA model comprising seven cell types and five evolution rules was systematically developed,enabling the simulation of both overall uniform corrosion and localized grain boundary dissolution,as well as corrosion channel propagation in the FZ under acidic conditions.By employing neural network based parameter fitting,the model accurately captures the IGC depth evolution and the expansion characteristics of corrosion channels,thereby reproducing the local damage morphologies of the FZ after immersion corrosion.This study provides theoretical support for corrosion-resistant design of high-strength aluminum alloy welded joints and holds significant engineering value in enhancing the service life of aluminum components.展开更多
With the evolution of geophysical surveys from traditional two-dimensional(2 D)to three-dimensional(3 D)models,the resulting large data volumes pose significant challenges to inversion,particularly when resolving larg...With the evolution of geophysical surveys from traditional two-dimensional(2 D)to three-dimensional(3 D)models,the resulting large data volumes pose significant challenges to inversion,particularly when resolving large-scale 3 D structures.A direct solver for solving an ill-conditioned linear system resulting from the finite-difference approximation of a boundary value problem requires more memory and time than iterative solvers.To overcome this limitation,an efficient iterative solver for 3 D finite-difference approach is introduced to calculate the 3 D gravitational potential and the associated gravitational field.Firstly,the boundary value problem associated with 3 D gravitational potential is discretized using central finite-difference technique based on right rectangular prismatic grids.The resulting large unsymmetric sparse systems are then solved using the generalized minimal residual algorithm(GMRES)iterative solver in combination with incomplete LU factorization.Secondly,to obtain high-accuracy partial derivatives of gravitational potential,a high-degree Lagrange interpolation scheme is employed.Finally,three density models are applied to test the accuracy,reliability,and flexibility of our 3 D finite-difference algorithm.All computational results demonstrate that our method provides an accurate approximation of the gravitational field and is applicable to 3 D forward modeling.展开更多
As a representative insensitive high explosive,3-nitro-1,2,4-triazol-5-one(NTO)has garnered significant attention due to its ability to substantially reduce the risk of accidental detonation in munitions.However,its i...As a representative insensitive high explosive,3-nitro-1,2,4-triazol-5-one(NTO)has garnered significant attention due to its ability to substantially reduce the risk of accidental detonation in munitions.However,its inherent acidity induces severe interfacial corrosion of metal casings,thereby limiting its engineering applications.Based on the micro-corrosion mechanism of NTO on carbon steel(CS),this study designs an arginine-derived corrosion inhibitor,N2-[(phenylamino)thioxomethyl]-arginine(PTA).Electrochemical tests reveal that PTA exhibits an outstanding corrosion inhibition efficiency of 98.0%in NTO solution.Density functional theory(DFT)and molecular dynamics(MD)simulations elucidate the inhibition mechanism of PTA,demonstrating that it not only co-adsorbs with NTO^(−) onto the CS surface to form a dense and stable protective film but also disrupts the strong interactions between NTO^(−) and Fe,thereby suppressing nitro group-induced reduction,decomposition,and excessive surface oxidation.Furthermore,a PTA-loaded mesoporous silica(mSiO_(2))nanoparticles(NPs)-reinforced epoxy resin(EP)composite coating was constructed.Benefiting from the enhanced barrier properties of PTA@mSiO_(2) NPs and the synergistic effect between PTA and NTO^(−),the low-frequency impedance of the composite coating remained as high as 1.29×10^(9)Ω·cm^(2) after 30 days of immersion in NTO solution,exhibiting a two-order-of-magnitude improvement compared to the pure EP coating.This study proposes an effective corrosion control strategy to mitigate NTO-induced corrosion,providing insights into the development of advanced corrosion protection strategies for broader applications.展开更多
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
In order to improve the efficiency of cloud-based web services,an improved plant growth simulation algorithm scheduling model.This model first used mathematical methods to describe the relationships between cloud-base...In order to improve the efficiency of cloud-based web services,an improved plant growth simulation algorithm scheduling model.This model first used mathematical methods to describe the relationships between cloud-based web services and the constraints of system resources.Then,a light-induced plant growth simulation algorithm was established.The performance of the algorithm was compared through several plant types,and the best plant model was selected as the setting for the system.Experimental results show that when the number of test cloud-based web services reaches 2048,the model being 2.14 times faster than PSO,2.8 times faster than the ant colony algorithm,2.9 times faster than the bee colony algorithm,and a remarkable 8.38 times faster than the genetic algorithm.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
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
[Objective]Precipitation events caused by Super Typhoon Doksuri in Fujian Province were simulated and evaluated based on the WRF model to provide a reference for typhoon precipitation simulation and forecasting in sou...[Objective]Precipitation events caused by Super Typhoon Doksuri in Fujian Province were simulated and evaluated based on the WRF model to provide a reference for typhoon precipitation simulation and forecasting in southeast coastal areas of China.[Methods]The next-generation mesoscale numerical weather prediction model WRF V4.3(The Weather Research and Forecasting Model)was used to simulate the precipitation caused by Typhoon Doksuri in Fujian Province in 2023.Observations from 86 meteorological stations with hourly rainfall records were used to evaluate the model’s performance.Six evaluation indices were used,including the correlation coefficient(R),root mean square error(RMSE),mean absolute error(MAE),equitable threat score(ETS),probability of detection(POD),and false alarm ratio(FAR).[Results](1)The temporal and spatial evolution of precipitation during Typhoon Doksuri was effectively captured by the WRF model.Precipitation intensity increased gradually from July 27 to 29,2023,with the heaviest rainfall concentrated in the northern and eastern coastal areas of Fujian Province.(2)Significant differences in model performance were observed in terms of R,RMSE,and MAE.The largest errors occurred in Putian City,while smaller errors were found in southwestern Fujian Province.The evaluation result of all six indices showed that the WRF model performed best in simulating daily precipitation compared to hourly,three-hourly,six-hourly,and twelve-hourly precipitation.(3)The R95p index indicated that the WRF model successfully captured the overall spatial distribution of extreme precipitation.However,extreme precipitation intensity was overestimated in certain coastal areas.(4)Despite accurately identifying the coastal regions of Fujian as being most affected,the WRF model failed to accurately simulate the spatial distribution and intensity of precipitation.The simulated precipitation centers showed discrepancies when compared with the observed centers.[Conclusion]Although the WRF model underestimated hourly precipitation,it successfully captured the temporal evolution and spatial distribution of rainfall caused by Typhoon Doksuri in Fujian Province.It reproduced the heavy rainfall centers in central Fujian Province,with daily precipitation peaks reaching up to 350 mm.This highlighted the severity of extreme rainfall caused by Typhoon Doksuri.展开更多
During the propagation of high-power lasers within internal channels,the laser beam heats the propagation medium,causing the thermal blooming effect that degrades the beam quality at the output.The intricate configura...During the propagation of high-power lasers within internal channels,the laser beam heats the propagation medium,causing the thermal blooming effect that degrades the beam quality at the output.The intricate configuration of the optical path within the internal channel necessitates complex and time-consuming efforts to assess the impact of thermal blooming effect on the optical path.To meet the engineering need for rapid evaluation of thermal blooming effect in optical paths,this study proposed a rapid simulation method for the thermal blooming effect in internal optical paths based on the finite element method.This method discretized the fluid region into infinitesimal elements and employed finite element method for flow field analysis.A simplified analytical model of the flow field region in complex internal channels was established,and regions with similar thermal blooming effect were divided within this model.Based on the calculated optical path differences within these regions,numerical simulations of phase distortion caused by thermal blooming were conducted.The calculated result were compared with those obtained using the existing methods.The findings reveal that for complex optical paths,the discrepancy between the two approaches is less than 3.6%,with similar phase distortion patterns observed.For L-type units,this method and the existing methods identify the same primary factors influencing aberrations and exhibit consistent trends in their variation.This method was used to analyze the impact of thermal blooming effect in a straight channel under different gravity directions.The results show that phase distortion varies with changes in the direction of gravity,and the magnitude of the phase difference is strongly correlated with the component of gravity perpendicular to the optical axis.Compared to the existing methods,this approach offers greater flexibility,obviates the need for complex custom analysis programming.The analytical results of this method enable a rapid assessment of the thermal blooming effect in optical paths within the internal channel.This is especially useful during the engineering design.These results also provide crucial references for developing strategies to suppress thermal blooming effect.展开更多
This study focuses on the thermal management of 4680-type cylindrical lithium-ion battery packs utilizing NCM811 chemistry.It establishes coupled multi-physics models for both immersion and serpentine cold plate cooli...This study focuses on the thermal management of 4680-type cylindrical lithium-ion battery packs utilizing NCM811 chemistry.It establishes coupled multi-physics models for both immersion and serpentine cold plate cooling systems.Through a combination of numerical simulation and experimental validation,the technical advantages and mechanisms of immersion cooling are systematically explored.Simulation results indicate that under a 3C fast-charging condition(inlet temperature 20℃,flow rate 36 L/min),the immersion cooling structure 3demonstrates a triple enhancement in thermal performance compared to the cold plate structure 1:a 13.06%reduction in peak temperature,a 31.67%decrease in overall maximum temperature difference,and a 47.62%decrease in single-cell temperature deviation,while also reducing flow resistance by 33.61%.Furthermore,based on the immersion cooling model,a small battery module comprising seven cylindrical cells was designed for thermal runaway testing via nail penetration.The results show that the peak temperature of the triggered cell was limited to 437.6℃,with a controllable temperature rise gradient of only 3.35℃/s and a rapid cooling rate of 0.6℃/s.The maximum temperature rise of adjacent cells was just 64.8℃,effectively inhibiting thermal propagation.Post-test disassembly revealed that the non-triggered cells retained>99.2%of their original voltage and>99%structural integrity,confirming the module’s ability to achieve“localized failure with global stability.”展开更多
Al-Cu-Mg-Ag alloys have become a research hotspot because of its good heat resistance.Its excellent mechanical properties are inseparable from the regulation of the structure by researchers.The method of material stru...Al-Cu-Mg-Ag alloys have become a research hotspot because of its good heat resistance.Its excellent mechanical properties are inseparable from the regulation of the structure by researchers.The method of material structure simulation has become more and more perfect.This study employs numerical simulation to investigate the microstructure evolution of Al-Cu-Mg-Ag alloys during solidification with the aim of controlling its structure.The size distribution of Ti-containing particles in an Al-Ti-B master alloy was characterized via microstructure observation,serving as a basis for optimizing the nucleation density parameters for particles of varying radii in the phase field model.The addition of refiner inhibited the growth of dendrites and no longer produced coarse dendrites.With the increase of refiner,the grains gradually tended to form cellular morphology.The refined grains were about 100μm in size.Experimental validation of the simulated as-cast grain morphology was conducted.The samples were observed by metallographic microscope and scanning electron microscope.The addition of refiner had a significant effect on the refinement of the alloy,and the average grain size after refinement was also about 100μm.At the same time,the XRD phase identification of the alloy was carried out.The observation of the microstructure morphology under the scanning electron microscope showed that the precipitated phase was mainly concentrated on the grain boundary.The Al_(2)Cu accounted for about 5%,and the matrix phase FCC accounted for about 95%,which also corresponded well with the simulation results.展开更多
To elucidate the influence of confining pressure on microcrack evolution and macroscopic failure mechanisms in granite,a multi-perspective approach was adopted.This approach combined triaxial compression tests,acousti...To elucidate the influence of confining pressure on microcrack evolution and macroscopic failure mechanisms in granite,a multi-perspective approach was adopted.This approach combined triaxial compression tests,acoustic emission(AE)monitoring,and PFC simulations.The results show that:1)Confining pressure exhibits a pronounced linear correlation with both yield strength and compressive strength.The enhancement of confining pressure significantly improves the deformability of granite and promotes a progressive shift in failure mechanism from brittle rupture to ductile deformation;2)Increasing confining pressure elevates the stress threshold for microcrack initiation and suppresses crack propagation.As a result,the proportion of shear cracks increases(based on AE analysis)from 18.71%to 61.2%,marking a transition in the dominant failure mode from tensile to shear;3)Confining pressure facilitates the development of grain boundary shear cracks(GBSCs),establishing the primary damage pathways.In addition,local stress concentrations under high confinement conditions trigger intragranular cracking.This highlights the regulatory effect of confining pressure on microcrack evolution.展开更多
Model-based system-of-systems(SOS)engineering(MBSoSE)is becoming a promising solution for the design of SoS with increasing complexity.However,bridging the models from the design phase to the simulation phase poses si...Model-based system-of-systems(SOS)engineering(MBSoSE)is becoming a promising solution for the design of SoS with increasing complexity.However,bridging the models from the design phase to the simulation phase poses significant challenges and requires an integrated approach.In this study,a unified requirement modeling approach is proposed based on unified architecture framework(UAF).Theoretical models are proposed which compose formalized descriptions from both topdown and bottom-up perspectives.Based on the description,the UAF profile is proposed to represent the SoS mission and constituent systems(CS)goal.Moreover,the agent-based simulation information is also described based on the overview,design concepts,and details(ODD)protocol as the complement part of the SoS profile,which can be transformed into different simulation platforms based on the eXtensible markup language(XML)technology and model-to-text method.In this way,the design of the SoS is simulated automatically in the early design stage.Finally,the method is implemented and an example is given to illustrate the whole process.展开更多
This paper investigates the influence of numerical methods and mesh resolution on the prediction accuracy of the aerodynamic behaviors of a 1/20 scaled generic high-speed train(HST)model.A thorough comparison is made ...This paper investigates the influence of numerical methods and mesh resolution on the prediction accuracy of the aerodynamic behaviors of a 1/20 scaled generic high-speed train(HST)model.A thorough comparison is made between partially averaged Navier-Stokes(PANS),large eddy simulation(LES),and wind tunnel experiments,covering aerodynamic forces,surface pressure,velocity distribution,and Reynolds stress and turbulent kinetic energy in the wake region.The Reynolds number for both simulations and experiments is set to 4.75×10^(5).The results show that the PANS approach accurately predicts flow characteristics observed in experiments and fine LES calculations,even with a low resolution grid.PANS exhibits a distinct advantage over LES when grid resolutions are insufficient for resolving near wall flow structures around the HST,both in open-air conditions and crosswind environments.Additionally,grid refinement improves the predictive accuracy of the HST's aerodynamic performance,particularly in the presence of small yaw angle.展开更多
Missile-borne short-range infrared detection(SIRD)technology is commonly used in military ground target detection.In complex battlefield environments,achieving precise strike on ground target is a challenging task.How...Missile-borne short-range infrared detection(SIRD)technology is commonly used in military ground target detection.In complex battlefield environments,achieving precise strike on ground target is a challenging task.However,real battlefield data is limited,and equivalent experiments are costly.Currently,there is a lack of comprehensive physical modeling and numerical simulation methods for SIRD.To this end,this study proposes a SIRD simulation framework incorporating full-link physical response,which is integrated through the radiative transfer layer,the sensor response layer,and the model-driven layer.In the radiative transfer layer,a coupled dynamic detection model is established to describe the external optical channel response of the SIRD system by combining the infrared radiation model and the geometric measurement model.In the sensor response layer,considering photoelectric conversion and signal processing,the internal signal response model of the SIRD system is established by a hybrid mode of parametric modeling and analog circuit analysis.In the model-driven layer,a cosimulation application based on a three-dimensional virtual environment is proposed to drive the full-link physical model,and a parallel ray tracing method is employed for real-time synchronous simulation.The proposed simulation framework can provide pixel-level signal output and is verified by the measured data.The evaluation results of the root mean square error(RMSE)and the Pearson correlation coefficient(PCC)show that the simulated data and the measured data achieve good consistency,and the evaluation results of the waveform eigenvalues indicate that the simulated signals exhibit low errors compared to the measured signals.The proposed simulation framework has the potential to acquire large sample datasets of SIRD under various complex battlefield environments and can provide an effective data source for SIRD application research.展开更多
基金Projects(52374080,41772151)supported by the National Natural Science Foundation of China。
文摘In order to reveal the mechanism of surface hydration differences for different types of montmorillonite crystals,the hydration processes of sodium,potassium,and calcium montmorillonite were simulated by molecular dynamics.These simulation results show that with the increase of the number of water molecules,the interlayer spacing of montmorillonite expands in a step-by-step manner,accompanied by volume expansion,decrease in density,and increase in self-diffusion coefficients of water molecules and cations.In addition,as the water molecular layer accumulates,the peak values of the radial distribution function between Na^(+)/K^(+)/Ca^(2+)ions and Ow/Hw(oxygen or hydrogen atoms in water molecules)gradually decrease.The degree of polymerization of water intensifies before decreasing,while the elastic modulus and acoustic velocity are gradually decreasing.It is worth noting that Na^(+)ion shows the highest tendency to hydrate,followed by Ca^(2+),and then K^(+).Among the cations studied,Ca^(2+)ion has the highest hydration coordination number,hydration number and hydration radius.As a result,calcium montmorillonite exhibits the widest intensity range and the largest acoustic velocity.These findings can provide references for engineering practices such as oil and gas exploration,tunnel excavation,slope stabilization,and deep geological disposal.
文摘Existing numerical methods for complex composites, such as multiscale simulation and neural network algorithms, face significant limitations. Multiscale techniques are often prohibitively expensive for large models, while neural networks struggle to represent underlying microscopic material properties. To overcome these challenges, a meso-micro scale numerical method using a virtual node approach is developed in this study. A Wbraid/Al/Epoxy functional structural material is fabricated, and a representative periodic unit cell is identified based on its architecture. The complex structure is then discretized into nodes, and mechanical interactions are governed by pre-defined computation rules. This virtual node method is systematically compared against both multiscale simulation and a neural network algorithm, with validation provided through mechanical experiments. The results demonstrate that the nodal operation strategy significantly reduces computational resource requirements. By quantifying microscopic bonding with coefficients, explicit interface treatment is avoided, granting the method strong adaptability to lattice materials. The method can simulate extremely complex structures using parameters from simple tests and is suited for large systems. Compared to three-point bending experiments, errors for multiscale, virtual node, and neural network methods were 12.4%, 6.9%, and 34.5%, respectively. Under dynamic compression, the errors were 2.7%, 9.3%, and 15.43%. The virtual node method demonstrated superior accuracy under static conditions, enabling efficient prediction and auxiliary development of complex structural materials.
基金National Natural Science Foundation of China(Grant No.52272446)XX Province Natural Science Foundation(Grant No.2025JC-YBQN-654)to provide fund for conducting experiments.
文摘This study proposes a multi-scale research approach that integrates micro-characterization experiments and 3D cellular automata(CA)simulations to investigate the intergranular corrosion(IGC)behavior of equiaxed grains in the fusion zone(FZ)of laser-welded joints of Al-Cu-Li alloys under acidic conditions.Combined with microscopic characterizations such as SEM and TEM,the significant segregation phe-nomenon of grain boundaries in the FZ of the laser welded joint of 2195-T8 aluminum-lithium alloy was revealed,and the typical morphologies of IGC in the FZ under two different concentrations of nitric acid were compared.Compared to the traditional CA model,the proposed approach uses the Voronoi method combined with experimental characterization data to reconstruct a polycrystalline micro-structural model.For the first time,the effects of grain boundary segregation and localized corrosion intensity on corrosion morphologies were incorporated.A CA model comprising seven cell types and five evolution rules was systematically developed,enabling the simulation of both overall uniform corrosion and localized grain boundary dissolution,as well as corrosion channel propagation in the FZ under acidic conditions.By employing neural network based parameter fitting,the model accurately captures the IGC depth evolution and the expansion characteristics of corrosion channels,thereby reproducing the local damage morphologies of the FZ after immersion corrosion.This study provides theoretical support for corrosion-resistant design of high-strength aluminum alloy welded joints and holds significant engineering value in enhancing the service life of aluminum components.
基金Project(2025ZD1009704)supported by the National Science and Technology Major Project of ChinaProjects(2023JJ30659,2022JJ30706)supported by Hunan Provincial Natural Science Foundation,China。
文摘With the evolution of geophysical surveys from traditional two-dimensional(2 D)to three-dimensional(3 D)models,the resulting large data volumes pose significant challenges to inversion,particularly when resolving large-scale 3 D structures.A direct solver for solving an ill-conditioned linear system resulting from the finite-difference approximation of a boundary value problem requires more memory and time than iterative solvers.To overcome this limitation,an efficient iterative solver for 3 D finite-difference approach is introduced to calculate the 3 D gravitational potential and the associated gravitational field.Firstly,the boundary value problem associated with 3 D gravitational potential is discretized using central finite-difference technique based on right rectangular prismatic grids.The resulting large unsymmetric sparse systems are then solved using the generalized minimal residual algorithm(GMRES)iterative solver in combination with incomplete LU factorization.Secondly,to obtain high-accuracy partial derivatives of gravitational potential,a high-degree Lagrange interpolation scheme is employed.Finally,three density models are applied to test the accuracy,reliability,and flexibility of our 3 D finite-difference algorithm.All computational results demonstrate that our method provides an accurate approximation of the gravitational field and is applicable to 3 D forward modeling.
文摘As a representative insensitive high explosive,3-nitro-1,2,4-triazol-5-one(NTO)has garnered significant attention due to its ability to substantially reduce the risk of accidental detonation in munitions.However,its inherent acidity induces severe interfacial corrosion of metal casings,thereby limiting its engineering applications.Based on the micro-corrosion mechanism of NTO on carbon steel(CS),this study designs an arginine-derived corrosion inhibitor,N2-[(phenylamino)thioxomethyl]-arginine(PTA).Electrochemical tests reveal that PTA exhibits an outstanding corrosion inhibition efficiency of 98.0%in NTO solution.Density functional theory(DFT)and molecular dynamics(MD)simulations elucidate the inhibition mechanism of PTA,demonstrating that it not only co-adsorbs with NTO^(−) onto the CS surface to form a dense and stable protective film but also disrupts the strong interactions between NTO^(−) and Fe,thereby suppressing nitro group-induced reduction,decomposition,and excessive surface oxidation.Furthermore,a PTA-loaded mesoporous silica(mSiO_(2))nanoparticles(NPs)-reinforced epoxy resin(EP)composite coating was constructed.Benefiting from the enhanced barrier properties of PTA@mSiO_(2) NPs and the synergistic effect between PTA and NTO^(−),the low-frequency impedance of the composite coating remained as high as 1.29×10^(9)Ω·cm^(2) after 30 days of immersion in NTO solution,exhibiting a two-order-of-magnitude improvement compared to the pure EP coating.This study proposes an effective corrosion control strategy to mitigate NTO-induced corrosion,providing insights into the development of advanced corrosion protection strategies for broader applications.
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
基金Shanxi Province Higher Education Science and Technology Innovation Fund Project(2022-676)Shanxi Soft Science Program Research Fund Project(2016041008-6)。
文摘In order to improve the efficiency of cloud-based web services,an improved plant growth simulation algorithm scheduling model.This model first used mathematical methods to describe the relationships between cloud-based web services and the constraints of system resources.Then,a light-induced plant growth simulation algorithm was established.The performance of the algorithm was compared through several plant types,and the best plant model was selected as the setting for the system.Experimental results show that when the number of test cloud-based web services reaches 2048,the model being 2.14 times faster than PSO,2.8 times faster than the ant colony algorithm,2.9 times faster than the bee colony algorithm,and a remarkable 8.38 times faster than the genetic algorithm.
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.
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.
文摘[Objective]Precipitation events caused by Super Typhoon Doksuri in Fujian Province were simulated and evaluated based on the WRF model to provide a reference for typhoon precipitation simulation and forecasting in southeast coastal areas of China.[Methods]The next-generation mesoscale numerical weather prediction model WRF V4.3(The Weather Research and Forecasting Model)was used to simulate the precipitation caused by Typhoon Doksuri in Fujian Province in 2023.Observations from 86 meteorological stations with hourly rainfall records were used to evaluate the model’s performance.Six evaluation indices were used,including the correlation coefficient(R),root mean square error(RMSE),mean absolute error(MAE),equitable threat score(ETS),probability of detection(POD),and false alarm ratio(FAR).[Results](1)The temporal and spatial evolution of precipitation during Typhoon Doksuri was effectively captured by the WRF model.Precipitation intensity increased gradually from July 27 to 29,2023,with the heaviest rainfall concentrated in the northern and eastern coastal areas of Fujian Province.(2)Significant differences in model performance were observed in terms of R,RMSE,and MAE.The largest errors occurred in Putian City,while smaller errors were found in southwestern Fujian Province.The evaluation result of all six indices showed that the WRF model performed best in simulating daily precipitation compared to hourly,three-hourly,six-hourly,and twelve-hourly precipitation.(3)The R95p index indicated that the WRF model successfully captured the overall spatial distribution of extreme precipitation.However,extreme precipitation intensity was overestimated in certain coastal areas.(4)Despite accurately identifying the coastal regions of Fujian as being most affected,the WRF model failed to accurately simulate the spatial distribution and intensity of precipitation.The simulated precipitation centers showed discrepancies when compared with the observed centers.[Conclusion]Although the WRF model underestimated hourly precipitation,it successfully captured the temporal evolution and spatial distribution of rainfall caused by Typhoon Doksuri in Fujian Province.It reproduced the heavy rainfall centers in central Fujian Province,with daily precipitation peaks reaching up to 350 mm.This highlighted the severity of extreme rainfall caused by Typhoon Doksuri.
文摘During the propagation of high-power lasers within internal channels,the laser beam heats the propagation medium,causing the thermal blooming effect that degrades the beam quality at the output.The intricate configuration of the optical path within the internal channel necessitates complex and time-consuming efforts to assess the impact of thermal blooming effect on the optical path.To meet the engineering need for rapid evaluation of thermal blooming effect in optical paths,this study proposed a rapid simulation method for the thermal blooming effect in internal optical paths based on the finite element method.This method discretized the fluid region into infinitesimal elements and employed finite element method for flow field analysis.A simplified analytical model of the flow field region in complex internal channels was established,and regions with similar thermal blooming effect were divided within this model.Based on the calculated optical path differences within these regions,numerical simulations of phase distortion caused by thermal blooming were conducted.The calculated result were compared with those obtained using the existing methods.The findings reveal that for complex optical paths,the discrepancy between the two approaches is less than 3.6%,with similar phase distortion patterns observed.For L-type units,this method and the existing methods identify the same primary factors influencing aberrations and exhibit consistent trends in their variation.This method was used to analyze the impact of thermal blooming effect in a straight channel under different gravity directions.The results show that phase distortion varies with changes in the direction of gravity,and the magnitude of the phase difference is strongly correlated with the component of gravity perpendicular to the optical axis.Compared to the existing methods,this approach offers greater flexibility,obviates the need for complex custom analysis programming.The analytical results of this method enable a rapid assessment of the thermal blooming effect in optical paths within the internal channel.This is especially useful during the engineering design.These results also provide crucial references for developing strategies to suppress thermal blooming effect.
文摘This study focuses on the thermal management of 4680-type cylindrical lithium-ion battery packs utilizing NCM811 chemistry.It establishes coupled multi-physics models for both immersion and serpentine cold plate cooling systems.Through a combination of numerical simulation and experimental validation,the technical advantages and mechanisms of immersion cooling are systematically explored.Simulation results indicate that under a 3C fast-charging condition(inlet temperature 20℃,flow rate 36 L/min),the immersion cooling structure 3demonstrates a triple enhancement in thermal performance compared to the cold plate structure 1:a 13.06%reduction in peak temperature,a 31.67%decrease in overall maximum temperature difference,and a 47.62%decrease in single-cell temperature deviation,while also reducing flow resistance by 33.61%.Furthermore,based on the immersion cooling model,a small battery module comprising seven cylindrical cells was designed for thermal runaway testing via nail penetration.The results show that the peak temperature of the triggered cell was limited to 437.6℃,with a controllable temperature rise gradient of only 3.35℃/s and a rapid cooling rate of 0.6℃/s.The maximum temperature rise of adjacent cells was just 64.8℃,effectively inhibiting thermal propagation.Post-test disassembly revealed that the non-triggered cells retained>99.2%of their original voltage and>99%structural integrity,confirming the module’s ability to achieve“localized failure with global stability.”
文摘Al-Cu-Mg-Ag alloys have become a research hotspot because of its good heat resistance.Its excellent mechanical properties are inseparable from the regulation of the structure by researchers.The method of material structure simulation has become more and more perfect.This study employs numerical simulation to investigate the microstructure evolution of Al-Cu-Mg-Ag alloys during solidification with the aim of controlling its structure.The size distribution of Ti-containing particles in an Al-Ti-B master alloy was characterized via microstructure observation,serving as a basis for optimizing the nucleation density parameters for particles of varying radii in the phase field model.The addition of refiner inhibited the growth of dendrites and no longer produced coarse dendrites.With the increase of refiner,the grains gradually tended to form cellular morphology.The refined grains were about 100μm in size.Experimental validation of the simulated as-cast grain morphology was conducted.The samples were observed by metallographic microscope and scanning electron microscope.The addition of refiner had a significant effect on the refinement of the alloy,and the average grain size after refinement was also about 100μm.At the same time,the XRD phase identification of the alloy was carried out.The observation of the microstructure morphology under the scanning electron microscope showed that the precipitated phase was mainly concentrated on the grain boundary.The Al_(2)Cu accounted for about 5%,and the matrix phase FCC accounted for about 95%,which also corresponded well with the simulation results.
基金Projects(U23A2060,42177143)supported by the National Natural Science Foundation of China。
文摘To elucidate the influence of confining pressure on microcrack evolution and macroscopic failure mechanisms in granite,a multi-perspective approach was adopted.This approach combined triaxial compression tests,acoustic emission(AE)monitoring,and PFC simulations.The results show that:1)Confining pressure exhibits a pronounced linear correlation with both yield strength and compressive strength.The enhancement of confining pressure significantly improves the deformability of granite and promotes a progressive shift in failure mechanism from brittle rupture to ductile deformation;2)Increasing confining pressure elevates the stress threshold for microcrack initiation and suppresses crack propagation.As a result,the proportion of shear cracks increases(based on AE analysis)from 18.71%to 61.2%,marking a transition in the dominant failure mode from tensile to shear;3)Confining pressure facilitates the development of grain boundary shear cracks(GBSCs),establishing the primary damage pathways.In addition,local stress concentrations under high confinement conditions trigger intragranular cracking.This highlights the regulatory effect of confining pressure on microcrack evolution.
基金Fifth Electronic Research Institute of the Ministry of Industry and Information Technology(HK07202200877)Pre-research Project on Civil Aerospace Technologies of CNSA(D020101)+2 种基金Zhejiang Provincial Science and Technology Plan Project(2022C01052)Frontier Scientific Research Program of Deep Space Exploration Laboratory(2022-QYKYJHHXYF-018,2022-QYKYJH-GCXD-001)Zhiyuan Laboratory(ZYL2024001)。
文摘Model-based system-of-systems(SOS)engineering(MBSoSE)is becoming a promising solution for the design of SoS with increasing complexity.However,bridging the models from the design phase to the simulation phase poses significant challenges and requires an integrated approach.In this study,a unified requirement modeling approach is proposed based on unified architecture framework(UAF).Theoretical models are proposed which compose formalized descriptions from both topdown and bottom-up perspectives.Based on the description,the UAF profile is proposed to represent the SoS mission and constituent systems(CS)goal.Moreover,the agent-based simulation information is also described based on the overview,design concepts,and details(ODD)protocol as the complement part of the SoS profile,which can be transformed into different simulation platforms based on the eXtensible markup language(XML)technology and model-to-text method.In this way,the design of the SoS is simulated automatically in the early design stage.Finally,the method is implemented and an example is given to illustrate the whole process.
基金Project(2024YFB4303300)supported by the National Key R&D Program of ChinaProject(52202429)supported by the National Natural Science Foundation of ChinaProject(2023JJ40747)supported by the Natural Science Foundation of Hunan Province,China。
文摘This paper investigates the influence of numerical methods and mesh resolution on the prediction accuracy of the aerodynamic behaviors of a 1/20 scaled generic high-speed train(HST)model.A thorough comparison is made between partially averaged Navier-Stokes(PANS),large eddy simulation(LES),and wind tunnel experiments,covering aerodynamic forces,surface pressure,velocity distribution,and Reynolds stress and turbulent kinetic energy in the wake region.The Reynolds number for both simulations and experiments is set to 4.75×10^(5).The results show that the PANS approach accurately predicts flow characteristics observed in experiments and fine LES calculations,even with a low resolution grid.PANS exhibits a distinct advantage over LES when grid resolutions are insufficient for resolving near wall flow structures around the HST,both in open-air conditions and crosswind environments.Additionally,grid refinement improves the predictive accuracy of the HST's aerodynamic performance,particularly in the presence of small yaw angle.
基金supported by the Foundation of Equipment Preresearch Area(Grant No.80919010303).
文摘Missile-borne short-range infrared detection(SIRD)technology is commonly used in military ground target detection.In complex battlefield environments,achieving precise strike on ground target is a challenging task.However,real battlefield data is limited,and equivalent experiments are costly.Currently,there is a lack of comprehensive physical modeling and numerical simulation methods for SIRD.To this end,this study proposes a SIRD simulation framework incorporating full-link physical response,which is integrated through the radiative transfer layer,the sensor response layer,and the model-driven layer.In the radiative transfer layer,a coupled dynamic detection model is established to describe the external optical channel response of the SIRD system by combining the infrared radiation model and the geometric measurement model.In the sensor response layer,considering photoelectric conversion and signal processing,the internal signal response model of the SIRD system is established by a hybrid mode of parametric modeling and analog circuit analysis.In the model-driven layer,a cosimulation application based on a three-dimensional virtual environment is proposed to drive the full-link physical model,and a parallel ray tracing method is employed for real-time synchronous simulation.The proposed simulation framework can provide pixel-level signal output and is verified by the measured data.The evaluation results of the root mean square error(RMSE)and the Pearson correlation coefficient(PCC)show that the simulated data and the measured data achieve good consistency,and the evaluation results of the waveform eigenvalues indicate that the simulated signals exhibit low errors compared to the measured signals.The proposed simulation framework has the potential to acquire large sample datasets of SIRD under various complex battlefield environments and can provide an effective data source for SIRD application research.
