Due to the restricted satellite payloads in LEO mega-constellation networks(LMCNs),remote sensing image analysis,online learning and other big data services desirably need onboard distributed processing(OBDP).In exist...Due to the restricted satellite payloads in LEO mega-constellation networks(LMCNs),remote sensing image analysis,online learning and other big data services desirably need onboard distributed processing(OBDP).In existing technologies,the efficiency of big data applications(BDAs)in distributed systems hinges on the stable-state and low-latency links between worker nodes.However,LMCNs with high-dynamic nodes and long-distance links can not provide the above conditions,which makes the performance of OBDP hard to be intuitively measured.To bridge this gap,a multidimensional simulation platform is indispensable that can simulate the network environment of LMCNs and put BDAs in it for performance testing.Using STK's APIs and parallel computing framework,we achieve real-time simulation for thousands of satellite nodes,which are mapped as application nodes through software defined network(SDN)and container technologies.We elaborate the architecture and mechanism of the simulation platform,and take the Starlink and Hadoop as realistic examples for simulations.The results indicate that LMCNs have dynamic end-to-end latency which fluctuates periodically with the constellation movement.Compared to ground data center networks(GDCNs),LMCNs deteriorate the computing and storage job throughput,which can be alleviated by the utilization of erasure codes and data flow scheduling of worker nodes.展开更多
The mechanical properties and failure mechanism of lightweight aggregate concrete(LWAC)is a hot topic in the engineering field,and the relationship between its microstructure and macroscopic mechanical properties is a...The mechanical properties and failure mechanism of lightweight aggregate concrete(LWAC)is a hot topic in the engineering field,and the relationship between its microstructure and macroscopic mechanical properties is also a frontier research topic in the academic field.In this study,the image processing technology is used to establish a micro-structure model of lightweight aggregate concrete.Through the information extraction and processing of the section image of actual light aggregate concrete specimens,the mesostructural model of light aggregate concrete with real aggregate characteristics is established.The numerical simulation of uniaxial tensile test,uniaxial compression test and three-point bending test of lightweight aggregate concrete are carried out using a new finite element method-the base force element method respectively.Firstly,the image processing technology is used to produce beam specimens,uniaxial compression specimens and uniaxial tensile specimens of light aggregate concrete,which can better simulate the aggregate shape and random distribution of real light aggregate concrete.Secondly,the three-point bending test is numerically simulated.Thirdly,the uniaxial compression specimen generated by image processing technology is numerically simulated.Fourth,the uniaxial tensile specimen generated by image processing technology is numerically simulated.The mechanical behavior and damage mode of the specimen during loading were analyzed.The results of numerical simulation are compared and analyzed with those of relevant experiments.The feasibility and correctness of the micromodel established in this study for analyzing the micromechanics of lightweight aggregate concrete materials are verified.Image processing technology has a broad application prospect in the field of concrete mesoscopic damage analysis.展开更多
This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification ...This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification of distillation processes,optimization of process parameters for distillation processes and recent research progress in dynamic control strategies.Firstly,the feasibility of using thermodynamic topological theories such as residual curve,phase equilibrium line and distillation boundary line to analyze different separation regions is discussed,and the rationality of distillation process design is discussed by using its feasibility.Secondly,the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process.The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications.Next,a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced.Finally,the improvement of dynamic control strategies for different distillation processes in recent years is summarized.This work focuses on the application of process intensification and system optimization in the design of distillation process,and analyzes the challenges,prospects,and development trends of distillation technology in the separation of multicomponent azeotropes.展开更多
Difficulties in obtaining component characteristics in the sub-idle state of rotor constrain the simulation capabilities of ground and windmill start-up processes for turbofan engines.This paper proposes a backbone fe...Difficulties in obtaining component characteristics in the sub-idle state of rotor constrain the simulation capabilities of ground and windmill start-up processes for turbofan engines.This paper proposes a backbone feature method based on conventional characteristics parameters to derive the full-state characteristics of fan.The application of the fan’s full-state characteristics in component-level model of turbofan engine enables zero-speed iterative simulation for ground start-up process and windmill simulation for windmill start-up process,thereby improving the simulation capability of sub-idle state during turbofan engine start-up.展开更多
The clathrate hydrate memory effect is a fascinating phenomenon with potential applications in carbon capture,utilization and storage(CCUS),gas separation,and gas storage as it can accelerate the secondary formation o...The clathrate hydrate memory effect is a fascinating phenomenon with potential applications in carbon capture,utilization and storage(CCUS),gas separation,and gas storage as it can accelerate the secondary formation of clathrate hydrate.However,the underlying mechanism of this effect remains unclear.To gain a better understanding of the mechanism,we conducted molecular dynamic simulations to simulate the initial formation and reformation processes of methane hydrate.In this work,we showed the evolution process of hydrate residual structures into hydrate cages.The simulation results indicate that the residual structures are closely related to the existence of hydrate memory effect,and the higher the contribution of hydrate dissociated water to the hydrate nucleation process,the faster the hydrate nucleation.After hydrate dissociation,the locally ordered structures still exist after hydrate dissociation and can promote the formation of cluster structures,thus accelerating hydrate nucleation.Additionally,the nucleation process of hydrate and the formation process of clusters are inseparable.The size of clusters composed of cup-cage structures is critical for hydrate nucleation.The residence time at high temperature after hydrate decomposition will affect the strength of the hydrate memory effect.Our simulation results provide microscopic insights into the occurrence of the hydrate memory effect and shed light on the hydrate reformation process at the molecular scale.展开更多
An efficient utilization strategy of ethylene tar(ET),the main by-product of the ethylene cracking unit,is urgently required to meet demands for modern petrochemical industry.On the other hand,condensed polynuclear ar...An efficient utilization strategy of ethylene tar(ET),the main by-product of the ethylene cracking unit,is urgently required to meet demands for modern petrochemical industry.On the other hand,condensed polynuclear aromatic resin of moderate condensation degree(B-COPNA)is a widely used carbon material due to its superb processability,the production of which is,however,seriously limited by the high cost of raw materials.Under such context,an interesting strategy was proposed in this study for producing B-COPNA resin using crosslinked light fractions of ethylene tar(ETLF,boiling point<260℃)facilitated by molecular simulation.1,4-Benzenedimethanol(PXG)was first selected as the crosslinking agent according to the findings of molecular simulation.The effects of operating conditions,including reactions temperature,crosslinking agent,and catalyst content on the softening point and yield of B-COPNA resin products were then investigated to optimize the process.The reaction mechanism of resin production was studied by analyzing the molecular structure and transition state of ETLF and crosslinking agents.It was shown that PXG exhibited a superior capacity of withdrawing electrons and a higher electrophilic reactivity than other crosslinking agents.In addition to the highest yield and greatest heat properties,PXG-prepared resin contained the most condensed aromatics.The corresponding optimized conditions of resin preparation were 180℃,1:1.9(PXG:ETLF),and 3%(mass)of catalyst content with a resin yield of 78.57%.It was the electrophilic substitution reaction that occurred between the ETLF and crosslinking agent molecules that were responsible for the resin formation,according to the experimental characterization and molecular simulation.Hence,it was confirmed that the proposed strategy and demonstrated process can achieve a clean and high value-added utilization of ETLF via B-COPNA resin preparation,bringing huge economic value to the current petrochemical industry.展开更多
Study on turbine blades is crucial due to their critical role in ensuring the efficient and reliable operation of aircraft engines.Nickel-based single crystal superalloys are extensively used in the hot manufacturing ...Study on turbine blades is crucial due to their critical role in ensuring the efficient and reliable operation of aircraft engines.Nickel-based single crystal superalloys are extensively used in the hot manufacturing of turbine blades due to their exceptional high-temperature mechanical properties.The hot manufacturing of single crystal blades involves directional solidification and heat treatment.Experimental manufacturing of these blades is time-consuming,capital-intensive,and often insufficient to meet industrial demands.Numerical simulation techniques have gained widespread acceptance in blade manufacturing research due to their low energy consumption,high efficiency,and rapid turnaround time.This article introduces the modeling and simulation of hot manufacturing in single crystal blades.The discussion outlines the prevalent mathematical models employed in numerical simulations related to blade hot manufacturing.It encapsulates the advancements in research concerning macro to micro-level numerical simulation techniques for directional solidification and heat treatment processes.Furthermore,potential future trajectories for the numerical simulation of single crystal blade hot manufacturing are also discussed.展开更多
There are more uncertainties with ice hydrometeor representations and related processes than liquid hydrometeors within microphysics parameterization(MP)schemes because of their complicated geometries and physical pro...There are more uncertainties with ice hydrometeor representations and related processes than liquid hydrometeors within microphysics parameterization(MP)schemes because of their complicated geometries and physical properties.Idealized supercell simulations are produced using the WRF model coupled with“full”Hebrew University spectral bin MP(HU-SBM),and NSSL and Thompson bulk MP(BMP)schemes.HU-SBM downdrafts are typically weaker than those of the NSSL and Thompson simulations,accompanied by less rain evaporation.HU-SBM produces more cloud ice(plates),graupel,and hail than the BMPs,yet precipitates less at the surface.The limiting mass bins(and subsequently,particle size)of rimed ice in HU-SBM and slower rimed ice fall speeds lead to smaller melting-level net rimed ice fluxes than those of the BMPs.Aggregation from plates in HU-SBM,together with snow–graupel collisions,leads to a greater snow contribution to rain than those of the BMPs.Replacing HU-SBM’s fall speeds using the formulations of the BMPs after aggregating the discrete bin values to mass mixing ratios and total number concentrations increases net rain and rimed ice fluxes.Still,they are smaller in magnitude than bulk rain,NSSL hail,and Thompson graupel net fluxes near the surface.Conversely,the melting-layer net rimed ice fluxes are reduced when the fall speeds for the NSSL and Thompson simulations are calculated using HU-SBM fall speed formulations after discretizing the bulk particle size distributions(PSDs)into spectral bins.The results highlight precipitation sensitivity to storm dynamics,fall speed,hydrometeor evolution governed by process rates,and MP PSD design.展开更多
Tannin foam is a new functional material.It can be widely applied to the automobile industry,construction industry,and packaging industry due to its wide range of raw materials,renewable,easily degraded,low cost and a...Tannin foam is a new functional material.It can be widely applied to the automobile industry,construction industry,and packaging industry due to its wide range of raw materials,renewable,easily degraded,low cost and almost no pollution.Preparing tannin foam is a very complex process that includes high temperature,two phases,mechanical agitation,and phase change.To investigate the influence of the stirring velocity and paddle shape,simulation was calculated by making use of the volume of fluid(VOF)method and multiple reference frame(MRF)method in a three-dimensional flow field of tannin-based foaming precursor resin.The gas holdup and velocity magnitude were analysed with various conditions of mechanical velocities and paddle shape in the stirring flow field.The result shows the higher the velocity,the greater the disturbance and paddle shape between the eggbeater and the Rushton turbine,obviously the paddle shape of the eggbeater with a wider range of agitation,which can entrap more air into the tannin-based foaming precursor resin in a short time.Especially when the speed is 1500 rpm,the flow field of the Rushton turbine comes out of a ditch,which decreases the efficiency of mass transfer;there is less air to mix into the tannin-based foaming precursor resin,which causes unevenness.At the same time,the eggbeater shows the marvelous capability of hybrid as it has two vortexes and multiple cycles that make a difference from the Rushton turbine,which has only one vortex and two upper and lower loops;the structure makes the flow field more stable allowed evenness of flow field tannin-based foaming precursor resin.The results reveal that it is beneficial for tannin-based foaming precursor resin to use an eggbeater with a speed of 1500 rpm to reduce the consumption of resources while obtaining a uniform flow field.展开更多
In this reported study, the density functional theory(DFT) was used at the(U)B3LYP/6-311G(d,p) level to investigate the stabilization process of the nitrate ester plasticized polyether propellant(NEPE). Molecular simu...In this reported study, the density functional theory(DFT) was used at the(U)B3LYP/6-311G(d,p) level to investigate the stabilization process of the nitrate ester plasticized polyether propellant(NEPE). Molecular simulations were conducted of the reaction that generates NO_(2), the autocatalytic and aging reaction triggered by the NO_(2), and the nitrogen dioxide absorption reaction of the stabilizers during the propellent stabilization process. These simulations were derived using the transition-state theory(TST)and variational transition-state theory(VTST). The simulation results suggested that the stabilization of the NEPE propellant consisted of three stages. First, heat and NO_(2) were generated during the denitrification reaction of nitroglycerine(NG) and 1,2,4-butanetriol trinitrate(BTTN) in the NEPE propellant.Second, nitroso products were generated by the reactions of N-Methyl-4-nitroaniline(MNA) and 2-nitrodiphenylamine(2NDPA) with NO_(2). Third, the stabilizers were exhausted and the autocatalytic reaction of NG and BTTN and the aging reaction of polyethylene glycol(PEG) were triggered by the heat and NO_(2)generated in the first stage. By comparing the energy barriers of the various reactions, it was found that the NO_(2)generated from the denitrification reaction significantly reduced the reaction energy barrier to 105.56-126.32 kJ/mol, also increased the reaction rate constant, and decreased the thermal stability and energetic properties of the NEPE propellant. In addition, the NO_(2)also weakened the mechanical properties of the NEPE propellant by attacking the-CH2groups and the O atoms in the PEG molecular chain. The energy barriers of the reactions of MNA and 2NDPA with NO_(2)(94.61-133.61 k J/mol) were lower than those of the autocatalytic and decomposition reactions of NG, BTTN, and the aging reactions of PEG(160.30-279.46 kJ/mol). This indicated that, by eliminating NO_(2), the stabilizer in the NEPE propellant can effectively prevent NO_(2)from reacting with the NG, BTTN, and PEG in the NEPE propellant. Consequently, this would help maintain the energy and mechanical properties of the NEPE propellant, thereby improving its thermal stability.展开更多
The autothermic pyrolysis in-situ conversion process (ATS) consumes latent heat of residual organic matter after kerogen pyrolysis by oxidation reaction, and it has the advantages of low development cost and exploitat...The autothermic pyrolysis in-situ conversion process (ATS) consumes latent heat of residual organic matter after kerogen pyrolysis by oxidation reaction, and it has the advantages of low development cost and exploitation of deep oil shale resources. However, the heating mechanism and the characteristic of different reaction zones are still unclear. In this study, an ATS numerical simulation model was proposed for the development of oil shale, which considers the pyrolysis of kerogen, high-temperature oxidation, and low-temperature oxidation. Based on the above model, the mechanism of the ATS was analyzed and the effects of preheating temperature, O_(2) content, and injection rate on recovery factor and energy efficiency were studied. The results showed that the ATS in the formation can be divided into five characteristic zones by evolution of the oil and O_(2) distribution, and the solid organic matter, including residue zone, autothermic zone, pyrolysis zone, preheating zone, and original zone. Energy efficiency was much higher for the ATS than for the high-temperature nitrogen injection in-situ conversion process (HNICP). There is a threshold value of the preheating temperature, the oil content, and the injection rate during the ATS, which is 400 °C, 0.18, and 1100 m3/day, respectively, in this study.展开更多
K439B nickel-based superalloy is a new type of high-temperature material.There is insufficient research on its constitutive equations and numerical modeling of thermal stress.Isothermal tensile experiments of K439B su...K439B nickel-based superalloy is a new type of high-temperature material.There is insufficient research on its constitutive equations and numerical modeling of thermal stress.Isothermal tensile experiments of K439B superalloy at different temperatures(20°C-1,000°C)and strain rates(1.33×10^(-3)s^(-1)-5.33×10^(-3)s^(-1))were performed by using a Gleeble-3800 simulator.The elastic moduli at different temperatures(20°C-650°C)were measured by resonance method.Subsequently,stress-strain curves were measured for K439B superalloy under different conditions.The elastic-viscoplastic constitutive equations were established and the correspongding parameters were solved by employing the Perzyna model.The verification results indicate that the calculated values of the constitutive equations are in good agreement with the experimental values.On this basis,the influence of process parameters on thermal stress was investigated by numerical simulation and orthogonal experimental design.The results of orthogonal experimental design reveal that the cooling mode of casting has a significant influence on the thermal stress,while pouring temperature and preheating temperature of shell mold have minimal impact.The distribution of physical fields under optimal process parameters,determined based on the orthogonal experimental design results,was simulated.The simulation results determine separately the specific positions with maximum values for effective stress,plastic strain,and displacement within the casting.The maximum stress is about 1,000.0 MPa,the plastic strain is about 0.135,and the displacement is about 1.47 mm.Moreover,the distribution states of thermal stress,strain,and displacement are closely related to the distribution of the temperature gradient and cooling rate in the casting.The research would provide a theoretical reference for exploring the stress-strain behavior and numerical modeling of the effective stress of the alloy during the casting process.展开更多
The comprehensive tire building and shaping processes are investigated through the finite element method(FEM)in this article.The mechanical properties of the uncured rubber from different tire components are investiga...The comprehensive tire building and shaping processes are investigated through the finite element method(FEM)in this article.The mechanical properties of the uncured rubber from different tire components are investigated through cyclic loading-unloading experiments under different strain rates.Based on the experiments,an elastoviscoplastic constitutive model is adopted to describe themechanical behaviors of the uncured rubber.The distinct mechanical properties,including the stress level,hysteresis and residual strain,of the uncured rubber can all be well characterized.The whole tire building process(including component winding,rubber bladder inflation,component stitching and carcass band folding-back)and the shaping process are simulated using this constitutive model.The simulated green tire profile is in good agreement with the actual profile obtained through 3D scanning.The deformation and stress of the rubber components and the cord reinforcements during production can be obtained fromthe FE simulation,which is helpful for judging the rationality of the tire construction design.Finally,the influence of the parameter“drum width”is investigated,and the simulated result is found to be consistent with the experimental observations,which verifies the effectiveness of the simulation.The established simulation strategy provides some guiding significance for the improvement of tire design parameters and the elimination of tire production defects.展开更多
Numerical simulation is the most powerful computational and analysis tool for a large variety of engineering and physical problems.For a complex problem relating to multi-field,multi-process and multi-scale,different ...Numerical simulation is the most powerful computational and analysis tool for a large variety of engineering and physical problems.For a complex problem relating to multi-field,multi-process and multi-scale,different computing tools have to be developed so as to solve particular fields at different scales and for different processes.Therefore,the integration of different types of software is inevitable.However,it is difficult to perform the transfer of the meshes and simulated results among software packages because of the lack of shared data formats or encrypted data formats.An image processing based method for three-dimensional model reconstruction for numerical simulation was proposed,which presents a solution to the integration problem by a series of slice or projection images obtained by the post-processing modules of the numerical simulation software.By means of mapping image pixels to meshes of either finite difference or finite element models,the geometry contour can be extracted to export the stereolithography model.The values of results,represented by color,can be deduced and assigned to the meshes.All the models with data can be directly or indirectly integrated into other software as a continued or new numerical simulation.The three-dimensional reconstruction method has been validated in numerical simulation of castings and case studies were provided in this study.展开更多
Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However...Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However,the catalyst deactivation is an inevitable feature in MTO processes,and regeneration,therefore,is one of the key steps in industrial MTO processes.Traditionally the MTO catalyst is regenerated by removing the deposited coke via air combustion,which unavoidably transforms coke into carbon dioxide and reduces the carbon utilization efficiency.Recent study shows that the coke species over MTO catalyst can be regenerated via steam,which can promote the light olefins yield as the deactivated coke species can be essentially transferred to industrially useful synthesis gas,is a promising pathway for further MTO processes development.In this work,we modelled and analyzed these two MTO regeneration methods in terms of carbon utilization efficiency and technology economics.As shown,the steam regeneration could achieve a carbon utilization efficiency of 84.31%,compared to 74.74%for air combustion regeneration.The MTO processes using steam regeneration can essentially achieve the near-zero carbon emission.In addition,light olefins production of the MTO processes using steam regeneration is 12.81%higher than that using air combustion regeneration.In this regard,steam regeneration could be considered as a potential yet promising regeneration method for further MTO processes,showing not only great environmental benefits but also competitive economic performance.展开更多
In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene p...In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.展开更多
Monte Carlo simulation techniques have become the quintessence and a pivotal nexus of inquiry in the realm of simulating photon movement within biological fabrics.Through the stochastic sampling of tissue archetypes d...Monte Carlo simulation techniques have become the quintessence and a pivotal nexus of inquiry in the realm of simulating photon movement within biological fabrics.Through the stochastic sampling of tissue archetypes delineated by explicit optical characteristics,Monte Carlo simulations possess the theoretical capacity to render unparalleled accuracy in the depiction of exceedingly intricate phenomena.Nonetheless,the quintessential challenge associated with Monte Carlo simulation methodologies resides in their extended computational duration,which significantly impedes the re¯nement of their precision.Consequently,this discourse is speci¯cally dedicated to exploring innovations in strategies and technologies aimed at expediting Monte Carlo simulations.It delves into the foundational concepts of various acceleration tactics,evaluates these strategies concerning their speed,accuracy,and practicality,and amalgamates a comprehensive overview and critique of acceleration methodologies for Monte Carlo simulations.Ultimately,the discourse envisages prospective trajectories for the employment of Monte Carlo techniques within the domain of tissue optics.展开更多
基金supported by National Natural Sciences Foundation of China(No.62271165,62027802,62201307)the Guangdong Basic and Applied Basic Research Foundation(No.2023A1515030297)+2 种基金the Shenzhen Science and Technology Program ZDSYS20210623091808025Stable Support Plan Program GXWD20231129102638002the Major Key Project of PCL(No.PCL2024A01)。
文摘Due to the restricted satellite payloads in LEO mega-constellation networks(LMCNs),remote sensing image analysis,online learning and other big data services desirably need onboard distributed processing(OBDP).In existing technologies,the efficiency of big data applications(BDAs)in distributed systems hinges on the stable-state and low-latency links between worker nodes.However,LMCNs with high-dynamic nodes and long-distance links can not provide the above conditions,which makes the performance of OBDP hard to be intuitively measured.To bridge this gap,a multidimensional simulation platform is indispensable that can simulate the network environment of LMCNs and put BDAs in it for performance testing.Using STK's APIs and parallel computing framework,we achieve real-time simulation for thousands of satellite nodes,which are mapped as application nodes through software defined network(SDN)and container technologies.We elaborate the architecture and mechanism of the simulation platform,and take the Starlink and Hadoop as realistic examples for simulations.The results indicate that LMCNs have dynamic end-to-end latency which fluctuates periodically with the constellation movement.Compared to ground data center networks(GDCNs),LMCNs deteriorate the computing and storage job throughput,which can be alleviated by the utilization of erasure codes and data flow scheduling of worker nodes.
基金supported by the National Science Foundation of China(10972015,11172015)the Beijing Natural Science Foundation(8162008).
文摘The mechanical properties and failure mechanism of lightweight aggregate concrete(LWAC)is a hot topic in the engineering field,and the relationship between its microstructure and macroscopic mechanical properties is also a frontier research topic in the academic field.In this study,the image processing technology is used to establish a micro-structure model of lightweight aggregate concrete.Through the information extraction and processing of the section image of actual light aggregate concrete specimens,the mesostructural model of light aggregate concrete with real aggregate characteristics is established.The numerical simulation of uniaxial tensile test,uniaxial compression test and three-point bending test of lightweight aggregate concrete are carried out using a new finite element method-the base force element method respectively.Firstly,the image processing technology is used to produce beam specimens,uniaxial compression specimens and uniaxial tensile specimens of light aggregate concrete,which can better simulate the aggregate shape and random distribution of real light aggregate concrete.Secondly,the three-point bending test is numerically simulated.Thirdly,the uniaxial compression specimen generated by image processing technology is numerically simulated.Fourth,the uniaxial tensile specimen generated by image processing technology is numerically simulated.The mechanical behavior and damage mode of the specimen during loading were analyzed.The results of numerical simulation are compared and analyzed with those of relevant experiments.The feasibility and correctness of the micromodel established in this study for analyzing the micromechanics of lightweight aggregate concrete materials are verified.Image processing technology has a broad application prospect in the field of concrete mesoscopic damage analysis.
文摘This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification of distillation processes,optimization of process parameters for distillation processes and recent research progress in dynamic control strategies.Firstly,the feasibility of using thermodynamic topological theories such as residual curve,phase equilibrium line and distillation boundary line to analyze different separation regions is discussed,and the rationality of distillation process design is discussed by using its feasibility.Secondly,the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process.The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications.Next,a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced.Finally,the improvement of dynamic control strategies for different distillation processes in recent years is summarized.This work focuses on the application of process intensification and system optimization in the design of distillation process,and analyzes the challenges,prospects,and development trends of distillation technology in the separation of multicomponent azeotropes.
文摘Difficulties in obtaining component characteristics in the sub-idle state of rotor constrain the simulation capabilities of ground and windmill start-up processes for turbofan engines.This paper proposes a backbone feature method based on conventional characteristics parameters to derive the full-state characteristics of fan.The application of the fan’s full-state characteristics in component-level model of turbofan engine enables zero-speed iterative simulation for ground start-up process and windmill simulation for windmill start-up process,thereby improving the simulation capability of sub-idle state during turbofan engine start-up.
基金Financial support from the National Natural Science Foundation of China(22208329,22178378,22127812,21908116 and U19B2005)Jiangxi Provincial Natural Science Foundation of China(20232BAB213044)。
文摘The clathrate hydrate memory effect is a fascinating phenomenon with potential applications in carbon capture,utilization and storage(CCUS),gas separation,and gas storage as it can accelerate the secondary formation of clathrate hydrate.However,the underlying mechanism of this effect remains unclear.To gain a better understanding of the mechanism,we conducted molecular dynamic simulations to simulate the initial formation and reformation processes of methane hydrate.In this work,we showed the evolution process of hydrate residual structures into hydrate cages.The simulation results indicate that the residual structures are closely related to the existence of hydrate memory effect,and the higher the contribution of hydrate dissociated water to the hydrate nucleation process,the faster the hydrate nucleation.After hydrate dissociation,the locally ordered structures still exist after hydrate dissociation and can promote the formation of cluster structures,thus accelerating hydrate nucleation.Additionally,the nucleation process of hydrate and the formation process of clusters are inseparable.The size of clusters composed of cup-cage structures is critical for hydrate nucleation.The residence time at high temperature after hydrate decomposition will affect the strength of the hydrate memory effect.Our simulation results provide microscopic insights into the occurrence of the hydrate memory effect and shed light on the hydrate reformation process at the molecular scale.
基金support of National Natural Science Foundation of P.R.China(22308104).
文摘An efficient utilization strategy of ethylene tar(ET),the main by-product of the ethylene cracking unit,is urgently required to meet demands for modern petrochemical industry.On the other hand,condensed polynuclear aromatic resin of moderate condensation degree(B-COPNA)is a widely used carbon material due to its superb processability,the production of which is,however,seriously limited by the high cost of raw materials.Under such context,an interesting strategy was proposed in this study for producing B-COPNA resin using crosslinked light fractions of ethylene tar(ETLF,boiling point<260℃)facilitated by molecular simulation.1,4-Benzenedimethanol(PXG)was first selected as the crosslinking agent according to the findings of molecular simulation.The effects of operating conditions,including reactions temperature,crosslinking agent,and catalyst content on the softening point and yield of B-COPNA resin products were then investigated to optimize the process.The reaction mechanism of resin production was studied by analyzing the molecular structure and transition state of ETLF and crosslinking agents.It was shown that PXG exhibited a superior capacity of withdrawing electrons and a higher electrophilic reactivity than other crosslinking agents.In addition to the highest yield and greatest heat properties,PXG-prepared resin contained the most condensed aromatics.The corresponding optimized conditions of resin preparation were 180℃,1:1.9(PXG:ETLF),and 3%(mass)of catalyst content with a resin yield of 78.57%.It was the electrophilic substitution reaction that occurred between the ETLF and crosslinking agent molecules that were responsible for the resin formation,according to the experimental characterization and molecular simulation.Hence,it was confirmed that the proposed strategy and demonstrated process can achieve a clean and high value-added utilization of ETLF via B-COPNA resin preparation,bringing huge economic value to the current petrochemical industry.
基金supported by the Stable Support Project and the Major National Science and Technology Project(Grant No.2017-VII-0008-0101).
文摘Study on turbine blades is crucial due to their critical role in ensuring the efficient and reliable operation of aircraft engines.Nickel-based single crystal superalloys are extensively used in the hot manufacturing of turbine blades due to their exceptional high-temperature mechanical properties.The hot manufacturing of single crystal blades involves directional solidification and heat treatment.Experimental manufacturing of these blades is time-consuming,capital-intensive,and often insufficient to meet industrial demands.Numerical simulation techniques have gained widespread acceptance in blade manufacturing research due to their low energy consumption,high efficiency,and rapid turnaround time.This article introduces the modeling and simulation of hot manufacturing in single crystal blades.The discussion outlines the prevalent mathematical models employed in numerical simulations related to blade hot manufacturing.It encapsulates the advancements in research concerning macro to micro-level numerical simulation techniques for directional solidification and heat treatment processes.Furthermore,potential future trajectories for the numerical simulation of single crystal blade hot manufacturing are also discussed.
基金This research was primarily supported by a NOAA Warn-on-Forecast(WoF)grant(Grant No.NA16OAR4320115).
文摘There are more uncertainties with ice hydrometeor representations and related processes than liquid hydrometeors within microphysics parameterization(MP)schemes because of their complicated geometries and physical properties.Idealized supercell simulations are produced using the WRF model coupled with“full”Hebrew University spectral bin MP(HU-SBM),and NSSL and Thompson bulk MP(BMP)schemes.HU-SBM downdrafts are typically weaker than those of the NSSL and Thompson simulations,accompanied by less rain evaporation.HU-SBM produces more cloud ice(plates),graupel,and hail than the BMPs,yet precipitates less at the surface.The limiting mass bins(and subsequently,particle size)of rimed ice in HU-SBM and slower rimed ice fall speeds lead to smaller melting-level net rimed ice fluxes than those of the BMPs.Aggregation from plates in HU-SBM,together with snow–graupel collisions,leads to a greater snow contribution to rain than those of the BMPs.Replacing HU-SBM’s fall speeds using the formulations of the BMPs after aggregating the discrete bin values to mass mixing ratios and total number concentrations increases net rain and rimed ice fluxes.Still,they are smaller in magnitude than bulk rain,NSSL hail,and Thompson graupel net fluxes near the surface.Conversely,the melting-layer net rimed ice fluxes are reduced when the fall speeds for the NSSL and Thompson simulations are calculated using HU-SBM fall speed formulations after discretizing the bulk particle size distributions(PSDs)into spectral bins.The results highlight precipitation sensitivity to storm dynamics,fall speed,hydrometeor evolution governed by process rates,and MP PSD design.
基金supported by the Key Program of Applied and Basic Research in Yunnan Province(Grant No.202101AS070008)the National Natural Science Foundation of China(NSFC 31760187)+4 种基金supported by the 111 Project(D21027)the Yunnan Provincial Academician Workstation(YSZJGZZ-2020052)the Foreign Expert Workstation(202305AF150006)supported by the Scientific Research Foundation of Education Department of Yunnan Province(Grant Nos.2023J0696,2023Y0699)Foreign Talent Introduction Program of Science and Technology Department of Yunnan Province(Grant No.202305AO350002).
文摘Tannin foam is a new functional material.It can be widely applied to the automobile industry,construction industry,and packaging industry due to its wide range of raw materials,renewable,easily degraded,low cost and almost no pollution.Preparing tannin foam is a very complex process that includes high temperature,two phases,mechanical agitation,and phase change.To investigate the influence of the stirring velocity and paddle shape,simulation was calculated by making use of the volume of fluid(VOF)method and multiple reference frame(MRF)method in a three-dimensional flow field of tannin-based foaming precursor resin.The gas holdup and velocity magnitude were analysed with various conditions of mechanical velocities and paddle shape in the stirring flow field.The result shows the higher the velocity,the greater the disturbance and paddle shape between the eggbeater and the Rushton turbine,obviously the paddle shape of the eggbeater with a wider range of agitation,which can entrap more air into the tannin-based foaming precursor resin in a short time.Especially when the speed is 1500 rpm,the flow field of the Rushton turbine comes out of a ditch,which decreases the efficiency of mass transfer;there is less air to mix into the tannin-based foaming precursor resin,which causes unevenness.At the same time,the eggbeater shows the marvelous capability of hybrid as it has two vortexes and multiple cycles that make a difference from the Rushton turbine,which has only one vortex and two upper and lower loops;the structure makes the flow field more stable allowed evenness of flow field tannin-based foaming precursor resin.The results reveal that it is beneficial for tannin-based foaming precursor resin to use an eggbeater with a speed of 1500 rpm to reduce the consumption of resources while obtaining a uniform flow field.
基金the support provided by the School of Physics and Optoelectronic Engineering of Ludong University。
文摘In this reported study, the density functional theory(DFT) was used at the(U)B3LYP/6-311G(d,p) level to investigate the stabilization process of the nitrate ester plasticized polyether propellant(NEPE). Molecular simulations were conducted of the reaction that generates NO_(2), the autocatalytic and aging reaction triggered by the NO_(2), and the nitrogen dioxide absorption reaction of the stabilizers during the propellent stabilization process. These simulations were derived using the transition-state theory(TST)and variational transition-state theory(VTST). The simulation results suggested that the stabilization of the NEPE propellant consisted of three stages. First, heat and NO_(2) were generated during the denitrification reaction of nitroglycerine(NG) and 1,2,4-butanetriol trinitrate(BTTN) in the NEPE propellant.Second, nitroso products were generated by the reactions of N-Methyl-4-nitroaniline(MNA) and 2-nitrodiphenylamine(2NDPA) with NO_(2). Third, the stabilizers were exhausted and the autocatalytic reaction of NG and BTTN and the aging reaction of polyethylene glycol(PEG) were triggered by the heat and NO_(2)generated in the first stage. By comparing the energy barriers of the various reactions, it was found that the NO_(2)generated from the denitrification reaction significantly reduced the reaction energy barrier to 105.56-126.32 kJ/mol, also increased the reaction rate constant, and decreased the thermal stability and energetic properties of the NEPE propellant. In addition, the NO_(2)also weakened the mechanical properties of the NEPE propellant by attacking the-CH2groups and the O atoms in the PEG molecular chain. The energy barriers of the reactions of MNA and 2NDPA with NO_(2)(94.61-133.61 k J/mol) were lower than those of the autocatalytic and decomposition reactions of NG, BTTN, and the aging reactions of PEG(160.30-279.46 kJ/mol). This indicated that, by eliminating NO_(2), the stabilizer in the NEPE propellant can effectively prevent NO_(2)from reacting with the NG, BTTN, and PEG in the NEPE propellant. Consequently, this would help maintain the energy and mechanical properties of the NEPE propellant, thereby improving its thermal stability.
基金financial support offered by the National Key R&D Program of China(Grant No.2019YFA0705502,Grant No.2019YFA0705501)the National Natural Science Fund Project of China(Grant No.4210020395)+1 种基金the China Postdoctoral Science Foundation(Grant No.2021M700053)Technology Development Plan Project of Jilin Province(Grant No.20200201219JC).
文摘The autothermic pyrolysis in-situ conversion process (ATS) consumes latent heat of residual organic matter after kerogen pyrolysis by oxidation reaction, and it has the advantages of low development cost and exploitation of deep oil shale resources. However, the heating mechanism and the characteristic of different reaction zones are still unclear. In this study, an ATS numerical simulation model was proposed for the development of oil shale, which considers the pyrolysis of kerogen, high-temperature oxidation, and low-temperature oxidation. Based on the above model, the mechanism of the ATS was analyzed and the effects of preheating temperature, O_(2) content, and injection rate on recovery factor and energy efficiency were studied. The results showed that the ATS in the formation can be divided into five characteristic zones by evolution of the oil and O_(2) distribution, and the solid organic matter, including residue zone, autothermic zone, pyrolysis zone, preheating zone, and original zone. Energy efficiency was much higher for the ATS than for the high-temperature nitrogen injection in-situ conversion process (HNICP). There is a threshold value of the preheating temperature, the oil content, and the injection rate during the ATS, which is 400 °C, 0.18, and 1100 m3/day, respectively, in this study.
基金supported by the National Science and Technology Major Project of China(Grant No.J2019-VI-0004-0117)the State Key Laboratory of Special Rare Metal Materials(No.SKL2021K002)Northwest Rare Metal Materials Research Institute Ningxia Co.,Ltd.
文摘K439B nickel-based superalloy is a new type of high-temperature material.There is insufficient research on its constitutive equations and numerical modeling of thermal stress.Isothermal tensile experiments of K439B superalloy at different temperatures(20°C-1,000°C)and strain rates(1.33×10^(-3)s^(-1)-5.33×10^(-3)s^(-1))were performed by using a Gleeble-3800 simulator.The elastic moduli at different temperatures(20°C-650°C)were measured by resonance method.Subsequently,stress-strain curves were measured for K439B superalloy under different conditions.The elastic-viscoplastic constitutive equations were established and the correspongding parameters were solved by employing the Perzyna model.The verification results indicate that the calculated values of the constitutive equations are in good agreement with the experimental values.On this basis,the influence of process parameters on thermal stress was investigated by numerical simulation and orthogonal experimental design.The results of orthogonal experimental design reveal that the cooling mode of casting has a significant influence on the thermal stress,while pouring temperature and preheating temperature of shell mold have minimal impact.The distribution of physical fields under optimal process parameters,determined based on the orthogonal experimental design results,was simulated.The simulation results determine separately the specific positions with maximum values for effective stress,plastic strain,and displacement within the casting.The maximum stress is about 1,000.0 MPa,the plastic strain is about 0.135,and the displacement is about 1.47 mm.Moreover,the distribution states of thermal stress,strain,and displacement are closely related to the distribution of the temperature gradient and cooling rate in the casting.The research would provide a theoretical reference for exploring the stress-strain behavior and numerical modeling of the effective stress of the alloy during the casting process.
基金funded by the NationalNatural Science Foundation of China (Nos.11902229,11502181)the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant Nos.XDB22040502,XDC06030200).
文摘The comprehensive tire building and shaping processes are investigated through the finite element method(FEM)in this article.The mechanical properties of the uncured rubber from different tire components are investigated through cyclic loading-unloading experiments under different strain rates.Based on the experiments,an elastoviscoplastic constitutive model is adopted to describe themechanical behaviors of the uncured rubber.The distinct mechanical properties,including the stress level,hysteresis and residual strain,of the uncured rubber can all be well characterized.The whole tire building process(including component winding,rubber bladder inflation,component stitching and carcass band folding-back)and the shaping process are simulated using this constitutive model.The simulated green tire profile is in good agreement with the actual profile obtained through 3D scanning.The deformation and stress of the rubber components and the cord reinforcements during production can be obtained fromthe FE simulation,which is helpful for judging the rationality of the tire construction design.Finally,the influence of the parameter“drum width”is investigated,and the simulated result is found to be consistent with the experimental observations,which verifies the effectiveness of the simulation.The established simulation strategy provides some guiding significance for the improvement of tire design parameters and the elimination of tire production defects.
基金funded by National Key R&D Program of China(No.2021YFB3401200)the National Natural Science Foundation of China(No.51875308)the Beijing Nature Sciences Fund-Haidian Originality Cooperation Project(L212002).
文摘Numerical simulation is the most powerful computational and analysis tool for a large variety of engineering and physical problems.For a complex problem relating to multi-field,multi-process and multi-scale,different computing tools have to be developed so as to solve particular fields at different scales and for different processes.Therefore,the integration of different types of software is inevitable.However,it is difficult to perform the transfer of the meshes and simulated results among software packages because of the lack of shared data formats or encrypted data formats.An image processing based method for three-dimensional model reconstruction for numerical simulation was proposed,which presents a solution to the integration problem by a series of slice or projection images obtained by the post-processing modules of the numerical simulation software.By means of mapping image pixels to meshes of either finite difference or finite element models,the geometry contour can be extracted to export the stereolithography model.The values of results,represented by color,can be deduced and assigned to the meshes.All the models with data can be directly or indirectly integrated into other software as a continued or new numerical simulation.The three-dimensional reconstruction method has been validated in numerical simulation of castings and case studies were provided in this study.
基金the financial support from the Strategic Priority Research Program of Chinese Academy of Sciences(XDA21010100)。
文摘Light olefins is the incredibly important materials in chemical industry.Methanol to olefins(MTO),which provides a non-oil route for light olefins production,received considerable attention in the past decades.However,the catalyst deactivation is an inevitable feature in MTO processes,and regeneration,therefore,is one of the key steps in industrial MTO processes.Traditionally the MTO catalyst is regenerated by removing the deposited coke via air combustion,which unavoidably transforms coke into carbon dioxide and reduces the carbon utilization efficiency.Recent study shows that the coke species over MTO catalyst can be regenerated via steam,which can promote the light olefins yield as the deactivated coke species can be essentially transferred to industrially useful synthesis gas,is a promising pathway for further MTO processes development.In this work,we modelled and analyzed these two MTO regeneration methods in terms of carbon utilization efficiency and technology economics.As shown,the steam regeneration could achieve a carbon utilization efficiency of 84.31%,compared to 74.74%for air combustion regeneration.The MTO processes using steam regeneration can essentially achieve the near-zero carbon emission.In addition,light olefins production of the MTO processes using steam regeneration is 12.81%higher than that using air combustion regeneration.In this regard,steam regeneration could be considered as a potential yet promising regeneration method for further MTO processes,showing not only great environmental benefits but also competitive economic performance.
基金supported by the National Natural Science Foundation of China(22178190)。
文摘In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by acetonitrile.The accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium data.The results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing system.COSMO-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS method.The predicted phase equilibrium data were checked for consistency.The NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium data.Industrial device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction process.The simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its database.The average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and reliable.The best phase equilibrium data and thermodynamic model parameters for butadiene extraction are provided.This improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.
基金funded by the Chinese Academy of Medical Science health innovation project(grant nos.2021-I2M-1-042,2021-I2M-1-058,and 2022-I2M-C&T-A-005)Tianjin Outstanding Youth Fund Project(grant no.20JCJQIC00230)CAMS Innovation Fund for Medical Sciences(CIFMS)(grant no.2022-I2M-C&T-B-012).
文摘Monte Carlo simulation techniques have become the quintessence and a pivotal nexus of inquiry in the realm of simulating photon movement within biological fabrics.Through the stochastic sampling of tissue archetypes delineated by explicit optical characteristics,Monte Carlo simulations possess the theoretical capacity to render unparalleled accuracy in the depiction of exceedingly intricate phenomena.Nonetheless,the quintessential challenge associated with Monte Carlo simulation methodologies resides in their extended computational duration,which significantly impedes the re¯nement of their precision.Consequently,this discourse is speci¯cally dedicated to exploring innovations in strategies and technologies aimed at expediting Monte Carlo simulations.It delves into the foundational concepts of various acceleration tactics,evaluates these strategies concerning their speed,accuracy,and practicality,and amalgamates a comprehensive overview and critique of acceleration methodologies for Monte Carlo simulations.Ultimately,the discourse envisages prospective trajectories for the employment of Monte Carlo techniques within the domain of tissue optics.