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
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
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
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
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
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
Shock wave caused by a sudden release of high-energy,such as explosion and blast,usually affects a significant range of areas.The utilization of a uniform fine mesh to capture sharp shock wave and to obtain precise re...Shock wave caused by a sudden release of high-energy,such as explosion and blast,usually affects a significant range of areas.The utilization of a uniform fine mesh to capture sharp shock wave and to obtain precise results is inefficient in terms of computational resource.This is particularly evident when large-scale fluid field simulations are conducted with significant differences in computational domain size.In this work,a variable-domain-size adaptive mesh enlargement(vAME)method is developed based on the proposed adaptive mesh enlargement(AME)method for modeling multi-explosives explosion problems.The vAME method reduces the division of numerous empty areas or unnecessary computational domains by adaptively suspending enlargement operation in one or two directions,rather than in all directions as in AME method.A series of numerical tests via AME and vAME with varying nonintegral enlargement ratios and different mesh numbers are simulated to verify the efficiency and order of accuracy.An estimate of speedup ratio is analyzed for further efficiency comparison.Several large-scale near-ground explosion experiments with single/multiple explosives are performed to analyze the shock wave superposition formed by the incident wave,reflected wave,and Mach wave.Additionally,the vAME method is employed to validate the accuracy,as well as to investigate the performance of the fluid field and shock wave propagation,considering explosive quantities ranging from 1 to 5 while maintaining a constant total mass.The results show a satisfactory correlation between the overpressure versus time curves for experiments and numerical simulations.The vAME method yields a competitive efficiency,increasing the computational speed to 3.0 and approximately 120,000 times in comparison to AME and the fully fine mesh method,respectively.It indicates that the vAME method reduces the computational cost with minimal impact on the results for such large-scale high-energy release problems with significant differences in computational domain size.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
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
The Underwater Communication Link(UCL)is a crucial component of Underwater Wireless Optical Communication(UWOC)systems,requiring optimised design to mitigate the high power attenuation inherent in seawater.To ensure t...The Underwater Communication Link(UCL)is a crucial component of Underwater Wireless Optical Communication(UWOC)systems,requiring optimised design to mitigate the high power attenuation inherent in seawater.To ensure the reliability of an optimal UCL design,it is essential to account for the three primary scattering regimes:forward scattering(FSC),backward scattering(BSC),and isotropic scattering(ISC)in seawater channels.This study introduces a new photon-tracking model based on a discrete equation,facilitating Monte Carlo Simulation(MCS)to evaluate how different scattering regimes influence received photon distribution.Three distinct Scattering Regime Contribution Weight(SRCW)probability sets were employed,each representing different UCL operational configurations dominated by specific scattering regimes.The proposed modeling approach enables a comprehensive assessment of the temporal characteristics of received optical pulses,channel loss,and time spread-ultimately defining the optimal UCL design parameters.The key findings of this study include:(1)Enhancing the FSC regime dominance leads to a quasi-light waveguide effect over link spans and small Fields of View(FOV)<25°,significantly improving channel performance in Harbor seawater compared to Coastal seawater.(2)A well-designed UCL with a small FOV(<25°)can minimise channel loss and time spread,ensuring high capacity and efficient performance in both Coastal and Harbor seawaters.(3)When BSC and ISC contributions exceed FSC dominance,the received optical pulse undergoes significant temporal broadening,particularly for larger FOV angles(>25°)and extended link spans.(4)The developed novel MCS-based discrete equation provides a simple yet robust model for simulating photon propagation in both homogeneous and inhomogeneous underwater channels.These insights contribute to developing more efficient and reliable UCL designs with military standards by enhancing UWOC system performance over a longer linkspan for a given limited optical power across various underwater environments.展开更多
Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of poros...Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.展开更多
In this study,circular dichroism(CD)and molecular dynamics(MD)simulation were used to investigate the thermal unfolding pathway of staphylococcal enterotoxin B(SEB)at temperatures of 298–371 and 298–500 K,and the re...In this study,circular dichroism(CD)and molecular dynamics(MD)simulation were used to investigate the thermal unfolding pathway of staphylococcal enterotoxin B(SEB)at temperatures of 298–371 and 298–500 K,and the relationship between the experimental and simulation results were explored.Our computational findings on the secondary structure of SEB showed that at room temperature,the CD spectroscopic results were highly consistent with the MD results.Moreover,under heating conditions,the changing trends of helix,sheet and random coil obtained by CD spectral fitting were highly consistent with those obtained by MD.In order to gain a deeper understanding of the thermal stability mechanism of SEB,the MD trajectories were analyzed in terms of root mean square deviation(RMSD),secondary structure assignment(SSA),radius of gyration(R_(g)),free energy surfaces(FES),solvent-accessible surface area(SASA),hydrogen bonds and salt bridges.The results showed that at low heating temperature,domain Ⅰ without loops(omitting the mobile loop region)mainly relied on hydrophobic interaction to maintain its thermal stability,whereas the thermal stability of domain Ⅱ was mainly controlled by salt bridges and hydrogen bonds.Under high heating temperature conditions,the hydrophobic interactions in domain Ⅰ without loops were destroyed and the secondary structure was almost completely lost,while domain Ⅱ could still rely on salt bridges as molecular staples to barely maintain the stability of the secondary structure.These results help us to understand the thermodynamic and kinetic mechanisms that maintain the thermal stability of SEB at the molecular level,and provide a direction for establishing safer and more effective food sterilization processes.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
To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitro...To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.展开更多
Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as bioch...Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as biochemical sensors for medicine,food safety and environmental monitoring.However,there is little research on aptamer-target binding mechanisms,which limits their application and development.Computational simulation has gained much attention for revealing aptamer-target binding mechanisms at the atomic level.This work summarizes the main simulation methods used in the mechanistic analysis of aptamer-target complexes,the characteristics of binding between aptamers and different targets(metal ions,small organic molecules,biomacromolecules,cells,bacteria and viruses),the types of aptamer-target interactions and the factors influencing their strength.It provides a reference for further use of simulations in understanding aptamer-target binding mechanisms.展开更多
The reverse magnetohydrodynamic(MHD)energy bypass technology is a promising energy redis⁃tribution technology in the scramjet system,in augmented with a power generation equipment to supply the neces⁃sary long-distanc...The reverse magnetohydrodynamic(MHD)energy bypass technology is a promising energy redis⁃tribution technology in the scramjet system,in augmented with a power generation equipment to supply the neces⁃sary long-distance flight airframe power.In this paper,a computational model of the scramjet magnetohydrody⁃namic channel is developed and verified by using the commercial software Fluent.It is found that when the mag⁃netic induction intensity is 1,2,3,4 T,the power generation efficiency is 22.5%,22.3%,22.0%,21.5%,and decreases with the increase of the magnetic induction intensity,and the enthalpy extraction rate is 0.026%,0.1%,0.21%,0.34%,and increases with the increase of the magnetic induction intensity.The deceleration ef⁃fect of electromagnetic action on the airflow in the power channel increases with the increase of magnetic induc⁃tion intensity.The stronger the magnetic field intensity,the more obvious the decreasing effect of fluid Mach num⁃ber in the channel.The power generation efficiency decreases as the magnetic induction intensity increases and the enthalpy extraction rate is reversed.As the local currents gathering at inlet and outlet of the power generation area,total temperature and enthalpy along the flow direction do not vary linearly,and there are maximum and minimum values at inlet and outlet.Increasing the number of electrodes can effectively regulate the percentage of Joule heat dissipation,which can improve the power generation efficiency.展开更多
To solve the problem of increased computation and communication costs caused by using homomorphic encryption(HE) to protect all gradients in traditional cryptographic aggregation(cryptoaggregation) schemes,a fast cryp...To solve the problem of increased computation and communication costs caused by using homomorphic encryption(HE) to protect all gradients in traditional cryptographic aggregation(cryptoaggregation) schemes,a fast crypto-aggregation scheme called RandomCrypt was proposed.RandomCrypt performed clipping and quantization to fix the range of gradient values and then added two types of noise on the gradient for encryption and differential privacy(DP) protection.It conducted HE on noise keys to revise the precision loss caused by DP protection.RandomCrypt was implemented based on a FATE framework,and a hacking simulation experiment was conducted.The results show that the proposed scheme can effectively hinder inference attacks while ensuring training accuracy.It only requires 45%~51% communication cost and 5%~23% computation cost compared with traditional schemes.展开更多
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.
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.
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.
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.
基金supported by the National Natural Science Foundation of China(Grant Nos.12302435 and 12221002)。
文摘Shock wave caused by a sudden release of high-energy,such as explosion and blast,usually affects a significant range of areas.The utilization of a uniform fine mesh to capture sharp shock wave and to obtain precise results is inefficient in terms of computational resource.This is particularly evident when large-scale fluid field simulations are conducted with significant differences in computational domain size.In this work,a variable-domain-size adaptive mesh enlargement(vAME)method is developed based on the proposed adaptive mesh enlargement(AME)method for modeling multi-explosives explosion problems.The vAME method reduces the division of numerous empty areas or unnecessary computational domains by adaptively suspending enlargement operation in one or two directions,rather than in all directions as in AME method.A series of numerical tests via AME and vAME with varying nonintegral enlargement ratios and different mesh numbers are simulated to verify the efficiency and order of accuracy.An estimate of speedup ratio is analyzed for further efficiency comparison.Several large-scale near-ground explosion experiments with single/multiple explosives are performed to analyze the shock wave superposition formed by the incident wave,reflected wave,and Mach wave.Additionally,the vAME method is employed to validate the accuracy,as well as to investigate the performance of the fluid field and shock wave propagation,considering explosive quantities ranging from 1 to 5 while maintaining a constant total mass.The results show a satisfactory correlation between the overpressure versus time curves for experiments and numerical simulations.The vAME method yields a competitive efficiency,increasing the computational speed to 3.0 and approximately 120,000 times in comparison to AME and the fully fine mesh method,respectively.It indicates that the vAME method reduces the computational cost with minimal impact on the results for such large-scale high-energy release problems with significant differences in computational domain size.
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supported by the Guangdong Major Project of Basic and Applied Basic Research(Grant No.2021B0301030001)the National Key Research and Development Program of China(Grant No.2021YFB3802300)the Foundation of National Key Laboratory of Shock Wave and Detonation Physics(Grant No.JCKYS2022212004)。
文摘The graded density impactor(GDI)dynamic loading technique is crucial for acquiring the dynamic physical property parameters of materials used in weapons.The accuracy and timeliness of GDI structural design are key to achieving controllable stress-strain rate loading.In this study,we have,for the first time,combined one-dimensional fluid computational software with machine learning methods.We first elucidated the mechanisms by which GDI structures control stress and strain rates.Subsequently,we constructed a machine learning model to create a structure-property response surface.The results show that altering the loading velocity and interlayer thickness has a pronounced regulatory effect on stress and strain rates.In contrast,the impedance distribution index and target thickness have less significant effects on stress regulation,although there is a matching relationship between target thickness and interlayer thickness.Compared with traditional design methods,the machine learning approach offers a10^(4)—10^(5)times increase in efficiency and the potential to achieve a global optimum,holding promise for guiding the design of GDI.
基金The Deanship of Scientific Research(DSR)at King Abdulaziz University(KAU),Jeddah,Saudi Arabia,has funded this project under Grant No.(KEP-PhD:72-130-1443).
文摘The Underwater Communication Link(UCL)is a crucial component of Underwater Wireless Optical Communication(UWOC)systems,requiring optimised design to mitigate the high power attenuation inherent in seawater.To ensure the reliability of an optimal UCL design,it is essential to account for the three primary scattering regimes:forward scattering(FSC),backward scattering(BSC),and isotropic scattering(ISC)in seawater channels.This study introduces a new photon-tracking model based on a discrete equation,facilitating Monte Carlo Simulation(MCS)to evaluate how different scattering regimes influence received photon distribution.Three distinct Scattering Regime Contribution Weight(SRCW)probability sets were employed,each representing different UCL operational configurations dominated by specific scattering regimes.The proposed modeling approach enables a comprehensive assessment of the temporal characteristics of received optical pulses,channel loss,and time spread-ultimately defining the optimal UCL design parameters.The key findings of this study include:(1)Enhancing the FSC regime dominance leads to a quasi-light waveguide effect over link spans and small Fields of View(FOV)<25°,significantly improving channel performance in Harbor seawater compared to Coastal seawater.(2)A well-designed UCL with a small FOV(<25°)can minimise channel loss and time spread,ensuring high capacity and efficient performance in both Coastal and Harbor seawaters.(3)When BSC and ISC contributions exceed FSC dominance,the received optical pulse undergoes significant temporal broadening,particularly for larger FOV angles(>25°)and extended link spans.(4)The developed novel MCS-based discrete equation provides a simple yet robust model for simulating photon propagation in both homogeneous and inhomogeneous underwater channels.These insights contribute to developing more efficient and reliable UCL designs with military standards by enhancing UWOC system performance over a longer linkspan for a given limited optical power across various underwater environments.
基金financial support from National Natural Science Foundation of China(Grant No.12172325)。
文摘Porous materials are widely used in the field of protection because of their excellent energy absorption characteristics.In this work,a series of polyurethane microscopic models are established and the effect of porosity on the shock waves is studied with classical molecular dynamics simulations.Firstly,shock Hugoniot relations for different porosities are obtained,which compare well with the experimental data.The pores collapse and form local stress wave,which results in the complex multi-wave structure of the shock wave.The microstructure analysis shows that the local stress increases and the local velocity decreases gradually during the process of pore collapse to complete compaction.Finally,it leads to stress relaxation and velocity homogenization.The shock stress peaks can be fitted with two exponential functions,and the amplitude of attenuation coefficient decreases with the increase of density.Besides,the pore collapse under shock or non-shock are discussed by the entropy increase rate of the system.The energy is dissipated mainly through the multiple interactions of the waves under shock.The energy is dissipated mainly by the friction between atoms under non-shock.
文摘In this study,circular dichroism(CD)and molecular dynamics(MD)simulation were used to investigate the thermal unfolding pathway of staphylococcal enterotoxin B(SEB)at temperatures of 298–371 and 298–500 K,and the relationship between the experimental and simulation results were explored.Our computational findings on the secondary structure of SEB showed that at room temperature,the CD spectroscopic results were highly consistent with the MD results.Moreover,under heating conditions,the changing trends of helix,sheet and random coil obtained by CD spectral fitting were highly consistent with those obtained by MD.In order to gain a deeper understanding of the thermal stability mechanism of SEB,the MD trajectories were analyzed in terms of root mean square deviation(RMSD),secondary structure assignment(SSA),radius of gyration(R_(g)),free energy surfaces(FES),solvent-accessible surface area(SASA),hydrogen bonds and salt bridges.The results showed that at low heating temperature,domain Ⅰ without loops(omitting the mobile loop region)mainly relied on hydrophobic interaction to maintain its thermal stability,whereas the thermal stability of domain Ⅱ was mainly controlled by salt bridges and hydrogen bonds.Under high heating temperature conditions,the hydrophobic interactions in domain Ⅰ without loops were destroyed and the secondary structure was almost completely lost,while domain Ⅱ could still rely on salt bridges as molecular staples to barely maintain the stability of the secondary structure.These results help us to understand the thermodynamic and kinetic mechanisms that maintain the thermal stability of SEB at the molecular level,and provide a direction for establishing safer and more effective food sterilization processes.
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.
基金supported by the National Natural Science Foundation of China (22275018)the Project of State Key Laboratory of Explosion Science and Technology (Beijing Institute of Technology)(Grant No.QNKT20-04)。
文摘To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals.
文摘Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as biochemical sensors for medicine,food safety and environmental monitoring.However,there is little research on aptamer-target binding mechanisms,which limits their application and development.Computational simulation has gained much attention for revealing aptamer-target binding mechanisms at the atomic level.This work summarizes the main simulation methods used in the mechanistic analysis of aptamer-target complexes,the characteristics of binding between aptamers and different targets(metal ions,small organic molecules,biomacromolecules,cells,bacteria and viruses),the types of aptamer-target interactions and the factors influencing their strength.It provides a reference for further use of simulations in understanding aptamer-target binding mechanisms.
文摘The reverse magnetohydrodynamic(MHD)energy bypass technology is a promising energy redis⁃tribution technology in the scramjet system,in augmented with a power generation equipment to supply the neces⁃sary long-distance flight airframe power.In this paper,a computational model of the scramjet magnetohydrody⁃namic channel is developed and verified by using the commercial software Fluent.It is found that when the mag⁃netic induction intensity is 1,2,3,4 T,the power generation efficiency is 22.5%,22.3%,22.0%,21.5%,and decreases with the increase of the magnetic induction intensity,and the enthalpy extraction rate is 0.026%,0.1%,0.21%,0.34%,and increases with the increase of the magnetic induction intensity.The deceleration ef⁃fect of electromagnetic action on the airflow in the power channel increases with the increase of magnetic induc⁃tion intensity.The stronger the magnetic field intensity,the more obvious the decreasing effect of fluid Mach num⁃ber in the channel.The power generation efficiency decreases as the magnetic induction intensity increases and the enthalpy extraction rate is reversed.As the local currents gathering at inlet and outlet of the power generation area,total temperature and enthalpy along the flow direction do not vary linearly,and there are maximum and minimum values at inlet and outlet.Increasing the number of electrodes can effectively regulate the percentage of Joule heat dissipation,which can improve the power generation efficiency.
基金Beijing Natural Science Foundation (L233005)National Key Research and Development Program of China (2023YFB3308200)。
文摘To solve the problem of increased computation and communication costs caused by using homomorphic encryption(HE) to protect all gradients in traditional cryptographic aggregation(cryptoaggregation) schemes,a fast crypto-aggregation scheme called RandomCrypt was proposed.RandomCrypt performed clipping and quantization to fix the range of gradient values and then added two types of noise on the gradient for encryption and differential privacy(DP) protection.It conducted HE on noise keys to revise the precision loss caused by DP protection.RandomCrypt was implemented based on a FATE framework,and a hacking simulation experiment was conducted.The results show that the proposed scheme can effectively hinder inference attacks while ensuring training accuracy.It only requires 45%~51% communication cost and 5%~23% computation cost compared with traditional schemes.
