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
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
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 numerical simulation of a blast wave of a multilayer composite charge is investigated.A calculation model of the near-field explosion and far-field propagation of the shock wave of a composite charge is establishe...The numerical simulation of a blast wave of a multilayer composite charge is investigated.A calculation model of the near-field explosion and far-field propagation of the shock wave of a composite charge is established using the AUTODYN finite element program.Results of the near-field and far-field calculations of the shock wave respectively converge at cell sizes of 0.25-0.5 cm and 1-3 cm.The Euler--fluxcorrected transport solver is found to be suitable for the far-field calculation after mapping.A numerical simulation is conducted to study the formation,propagation,and interaction of the shock wave of the composite charge for different initiation modes.It is found that the initiation mode obviously affects the shock-wave waveform and pressure distribution of the composite charge.Additionally,it is found that the area of the overpressure distribution is greatest for internal and external simultaneous initiation,and the peak pressure of the shock wave exponentially decays,fitting the calculation formula of the peak overpressure attenuation under different initiation modes,which is obtained and verified by experiment.The difference between numerical and experimental results is less than 10%,and the peak overpressure of both internal and external initiation is 56.12% higher than that of central single-point initiation.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
Global navigation satellite system-reflection(GNSS-R)sea surface altimetry based on satellite constellation platforms has become a new research direction and inevitable trend,which can meet the altimetric precision at...Global navigation satellite system-reflection(GNSS-R)sea surface altimetry based on satellite constellation platforms has become a new research direction and inevitable trend,which can meet the altimetric precision at the global scale required for underwater navigation.At present,there are still research gaps for GNSS-R altimetry under this mode,and its altimetric capability cannot be specifically assessed.Therefore,GNSS-R satellite constellations that meet the global altimetry needs to be designed.Meanwhile,the matching precision prediction model needs to be established to quantitatively predict the GNSS-R constellation altimetric capability.Firstly,the GNSS-R constellations altimetric precision under different configuration parameters is calculated,and the mechanism of the influence of orbital altitude,orbital inclination,number of satellites and simulation period on the precision is analyzed,and a new multilayer feedforward neural network weighted joint prediction model is established.Secondly,the fit of the prediction model is verified and the performance capability of the model is tested by calculating the R2 value of the model as 0.9972 and the root mean square error(RMSE)as 0.0022,which indicates that the prediction capability of the model is excellent.Finally,using the novel multilayer feedforward neural network weighted joint prediction model,and considering the research results and realistic costs,it is proposed that when the constellation is set to an orbital altitude of 500 km,orbital inclination of 75and the number of satellites is 6,the altimetry precision can reach 0.0732 m within one year simulation period,which can meet the requirements of underwater navigation precision,and thus can provide a reference basis for subsequent research on spaceborne GNSS-R sea surface altimetry.展开更多
Al/Ni reactive multilayer foil(RMF)possesses excellent comprehensive properties as a promising substitute for traditional Cu bridge.A theoretical resistivity model of Al/Ni RMF was developed to guide the optimization ...Al/Ni reactive multilayer foil(RMF)possesses excellent comprehensive properties as a promising substitute for traditional Cu bridge.A theoretical resistivity model of Al/Ni RMF was developed to guide the optimization of EFIs.Al/Ni RMF with different bilayer thicknesses and bridge dimensions were prepared by MEMS technology and electrical explosion tests were carried out.According to physical and chemical reactions in bridge,the electrical explosion process was divided into 5 stages:heating of condensed bridge,vaporization and diffusion of Al layers,intermetallic combination reaction,intrinsic explosion,ionization of metal gases,which are obviously shown in measured voltage curve.Effects of interface and grain boundary scattering on the resistivity of film metal were considered.Focusing on variations of substance and state,the resistivity was developed as a function of temperature at each stage.Electrical explosion curves were calculated by this model at different bilayer thicknesses,bridge dimensions and capacitor voltages,which showed an excellent agreement with experimental ones.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
In order to improve the overall resilience of the urban infrastructures, it is required to conduct blast resistant design for important building structures in the city. For complex terrain in the city, it is recommend...In order to improve the overall resilience of the urban infrastructures, it is required to conduct blast resistant design for important building structures in the city. For complex terrain in the city, it is recommended to determine the blast load on the structures via numerical simulation. Since the mesh size of the numerical model highly depends on the explosion scenario, there is no generally applicable approach for the mesh size selection. An efficient method to determine the mesh size of the numerical model of near-ground detonation based on explosion scenarios is proposed in this study. The effect of mesh size on the propagation of blast wave under different explosive weights was studied, and the correlations between the mesh size effect and the charge weight or the scaled distance was described. Based on the principle of the finite element method and Hopkinson-Cranz scaling law, a mesh size measurement unit related to the explosive weight was proposed as the criterion for determining the mesh size in the numerical simulation. Finally, the applicability of the method proposed in this paper was verified by comparing the results from numerical simulation and the explosion tests and was verified in AUTODYN.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.
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 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funded by the National Natural Science Foundation of China under NO.11202103Qing-lan Project of Jiangsu Province。
文摘The numerical simulation of a blast wave of a multilayer composite charge is investigated.A calculation model of the near-field explosion and far-field propagation of the shock wave of a composite charge is established using the AUTODYN finite element program.Results of the near-field and far-field calculations of the shock wave respectively converge at cell sizes of 0.25-0.5 cm and 1-3 cm.The Euler--fluxcorrected transport solver is found to be suitable for the far-field calculation after mapping.A numerical simulation is conducted to study the formation,propagation,and interaction of the shock wave of the composite charge for different initiation modes.It is found that the initiation mode obviously affects the shock-wave waveform and pressure distribution of the composite charge.Additionally,it is found that the area of the overpressure distribution is greatest for internal and external simultaneous initiation,and the peak pressure of the shock wave exponentially decays,fitting the calculation formula of the peak overpressure attenuation under different initiation modes,which is obtained and verified by experiment.The difference between numerical and experimental results is less than 10%,and the peak overpressure of both internal and external initiation is 56.12% higher than that of central single-point initiation.
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.
基金the National Natural Science Foundation of China under Grant(42274119)the Liaoning Revitalization Talents Program under Grant(XLYC2002082)+1 种基金National Key Research and Development Plan Key Special Projects of Science and Technology Military Civil Integration(2022YFF1400500)the Key Project of Science and Technology Commission of the Central Military Commission.
文摘Global navigation satellite system-reflection(GNSS-R)sea surface altimetry based on satellite constellation platforms has become a new research direction and inevitable trend,which can meet the altimetric precision at the global scale required for underwater navigation.At present,there are still research gaps for GNSS-R altimetry under this mode,and its altimetric capability cannot be specifically assessed.Therefore,GNSS-R satellite constellations that meet the global altimetry needs to be designed.Meanwhile,the matching precision prediction model needs to be established to quantitatively predict the GNSS-R constellation altimetric capability.Firstly,the GNSS-R constellations altimetric precision under different configuration parameters is calculated,and the mechanism of the influence of orbital altitude,orbital inclination,number of satellites and simulation period on the precision is analyzed,and a new multilayer feedforward neural network weighted joint prediction model is established.Secondly,the fit of the prediction model is verified and the performance capability of the model is tested by calculating the R2 value of the model as 0.9972 and the root mean square error(RMSE)as 0.0022,which indicates that the prediction capability of the model is excellent.Finally,using the novel multilayer feedforward neural network weighted joint prediction model,and considering the research results and realistic costs,it is proposed that when the constellation is set to an orbital altitude of 500 km,orbital inclination of 75and the number of satellites is 6,the altimetry precision can reach 0.0732 m within one year simulation period,which can meet the requirements of underwater navigation precision,and thus can provide a reference basis for subsequent research on spaceborne GNSS-R sea surface altimetry.
基金National Natural Science Foundation of China(Grant No.11872013)for supporting this project.
文摘Al/Ni reactive multilayer foil(RMF)possesses excellent comprehensive properties as a promising substitute for traditional Cu bridge.A theoretical resistivity model of Al/Ni RMF was developed to guide the optimization of EFIs.Al/Ni RMF with different bilayer thicknesses and bridge dimensions were prepared by MEMS technology and electrical explosion tests were carried out.According to physical and chemical reactions in bridge,the electrical explosion process was divided into 5 stages:heating of condensed bridge,vaporization and diffusion of Al layers,intermetallic combination reaction,intrinsic explosion,ionization of metal gases,which are obviously shown in measured voltage curve.Effects of interface and grain boundary scattering on the resistivity of film metal were considered.Focusing on variations of substance and state,the resistivity was developed as a function of temperature at each stage.Electrical explosion curves were calculated by this model at different bilayer thicknesses,bridge dimensions and capacitor voltages,which showed an excellent agreement with experimental ones.
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.
基金the funding supports of the National Key Research and Development Plan,China(Grant No.2022YFC3801800)National Natural Science Foundation of China(Grant Nos.52038010 and 52078368)。
文摘In order to improve the overall resilience of the urban infrastructures, it is required to conduct blast resistant design for important building structures in the city. For complex terrain in the city, it is recommended to determine the blast load on the structures via numerical simulation. Since the mesh size of the numerical model highly depends on the explosion scenario, there is no generally applicable approach for the mesh size selection. An efficient method to determine the mesh size of the numerical model of near-ground detonation based on explosion scenarios is proposed in this study. The effect of mesh size on the propagation of blast wave under different explosive weights was studied, and the correlations between the mesh size effect and the charge weight or the scaled distance was described. Based on the principle of the finite element method and Hopkinson-Cranz scaling law, a mesh size measurement unit related to the explosive weight was proposed as the criterion for determining the mesh size in the numerical simulation. Finally, the applicability of the method proposed in this paper was verified by comparing the results from numerical simulation and the explosion tests and was verified in AUTODYN.
