Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted dru...Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation.展开更多
Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely orien...Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.展开更多
Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This st...Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions.展开更多
Automation and intelligence have become the primary trends in the design of investment casting processes.However,the design of gating and riser systems still lacks precise quantitative evaluation criteria.Numerical si...Automation and intelligence have become the primary trends in the design of investment casting processes.However,the design of gating and riser systems still lacks precise quantitative evaluation criteria.Numerical simulation plays a significant role in quantitatively evaluating current processes and making targeted improvements,but its limitations lie in the inability to dynamically reflect the formation outcomes of castings under varying process conditions,making real-time adjustments to gating and riser designs challenging.In this study,an automated design model for gating and riser systems based on integrated parametric 3D modeling-simulation framework is proposed,which enhances the flexibility and usability of evaluating the casting process by simulation.Firstly,geometric feature extraction technology is employed to obtain the geometric information of the target casting.Based on this information,an automated design framework for gating and riser systems is established,incorporating multiple structural parameters for real-time process control.Subsequently,the simulation results for various structural parameters are analyzed,and the influence of these parameters on casting formation is thoroughly investigated.Finally,the optimal design scheme is generated and validated through experimental verification.Simulation analysis and experimental results show that using a larger gate neck(24 mm in side length) and external risers promotes a more uniform temperature distribution and a more stable flow state,effectively eliminating shrinkage cavities and enhancing process yield by 15%.展开更多
Molecular dynamics simulations are performed to study the growth mechanism of CH4-CO2 mixed hydrate in xco2 = 75%, xco2 = 50%, and zco2 = 25% systems at T = 250 K, 255 K and 260 K, respectively. Our simulation results...Molecular dynamics simulations are performed to study the growth mechanism of CH4-CO2 mixed hydrate in xco2 = 75%, xco2 = 50%, and zco2 = 25% systems at T = 250 K, 255 K and 260 K, respectively. Our simulation results show that the growth rate of CH4-CO2 mixed hydrate increases as the CO2 concentration in the initial solution phase increases and the temperature decreases. Via hydrate formation, the composition of CO2 in hydrate phase is higher than that in initial solution phase and the encaging capacity of CO2 in hydrates increases with the decrease in temperature. By analysis of the cage occupancy ratio of CH4 molecules and CO2 molecules in large cages to small cages, we find that CO2 molecules are preferably encaged into the large cages of the hydrate crystal as compared with CH4 molecules. Interestingly, CH4 molecules and CO2 molecules frequently replace with each other in some particular cage sites adjacent to hydrate/solution interface during the crystal growth process. These two species of vip molecules eventually act to stabilize the newly formed hydrates, with CO2 molecules occupying large cages and CH4 molecules occupying small cages in hydrate.展开更多
The numerical simulation of modern aero-engine combustion chamber needs accurate description of the interaction between turbulence and chemical reaction mechanism. The Large Eddy Simulation(LES) method with the Transp...The numerical simulation of modern aero-engine combustion chamber needs accurate description of the interaction between turbulence and chemical reaction mechanism. The Large Eddy Simulation(LES) method with the Transported Probability Density Function(TPDF) turbulence combustion model is promising in engineering applications. In flame region, the impact of chemical reaction should be considered in TPDF molecular mixing model. Based on pioneer research, three new TPDF turbulence-chemistry dual time scale molecular mixing models were proposed tentatively by adding the chemistry time scale in molecular mixing model for nonpremixed flame. The Aero-Engine Combustor Simulation Code(AECSC) which is based on LES-TPDF method was combined with the three new models. Then the Sandia laboratory's methane-air jet flames: Flame D and Flame E were simulated. Transient simulation results show that all the three new models can predict the instantaneous combustion flow pattern of the jet flames. Furthermore,the average scalar statistical results were compared with the experimental data. The simulation result of the new TPDF arithmetic mean modification model is the closest to the experimental data:the average error in Flame D is 7.6% and 6.6% in Flame E. The extinction and re-ignition phenomena of the jet flames especially Flame E were captured. The turbulence time scale and the chemistry time scale are in different order in the whole flow field. The dual time scale TPDF combustion model has ability to deal with both the turbulence effect and the chemistry reaction effect, as well as their interaction more accurately for nonpremixed flames.展开更多
The visual fidelity of bleeding simulation in a surgical simulator is critical since it will affect not only the degree of visual realism,but also the user’s medical judgment and treatment in real-life settings.The c...The visual fidelity of bleeding simulation in a surgical simulator is critical since it will affect not only the degree of visual realism,but also the user’s medical judgment and treatment in real-life settings.The conventional marching cubes surface rendering algorithm provides excellent visual effect in rendering gushing blood,however,it is insufficient for blood flow,which is very common in surgical procedures,since in this case the rendered surface and depth textures of blood are rough.In this paper,we propose a new method called the mixed depth rendering for rendering blood flow in surgical simulation.A smooth height field is created to minimize the height difference between neighboring particles on the bleeding surface.The color and transparency of each bleeding area are determined by the number of bleeding particles,which is consistent with the real visual effect.In addition,there is no much extra computational cost.The rendering of blood flow in a variety of surgical scenarios shows that visual feedback is much improved.The proposed mixed depth rendering method is also used in a neurosurgery simulator that we developed.展开更多
The multiscale hybrid-mixed(MHM)method is applied to the numerical approximation of two-dimensional matrix fluid flow in porous media with fractures.The two-dimensional fluid flow in the reservoir and the one-dimensio...The multiscale hybrid-mixed(MHM)method is applied to the numerical approximation of two-dimensional matrix fluid flow in porous media with fractures.The two-dimensional fluid flow in the reservoir and the one-dimensional flow in the discrete fractures are approximated using mixed finite elements.The coupling of the two-dimensional matrix flow with the one-dimensional fracture flow is enforced using the pressure of the one-dimensional flow as a Lagrange multiplier to express the conservation of fluid transfer between the fracture flow and the divergence of the one-dimensional fracture flux.A zero-dimensional pressure(point element)is used to express conservation of mass where fractures intersect.The issuing simulation is then reduced using the MHM method leading to accurate results with a very reduced number of global equations.A general system was developed where fracture geometries and conductivities are specified in an input file and meshes are generated using the public domain mesh generator GMsh.Several test cases illustrate the effectiveness of the proposed approach by comparing the multiscale results with direct simulations.展开更多
The present work relates to a numerical investigation of double diffusive mixed convection around a horizontal annulus with a finned inner cylinder.The solutal and thermal buoyancy forces are sustained by maintaining ...The present work relates to a numerical investigation of double diffusive mixed convection around a horizontal annulus with a finned inner cylinder.The solutal and thermal buoyancy forces are sustained by maintaining the inner and outer cylinders at uniform temperatures and concentrations.Buoyancy effects are also considered,with the Boussinesq approximation.The forced convection effect is induced by the outer cylinder rotating with an angular velocity(ω)in an anti-clockwise direction.The studies are made for various combinations of dimensionless numbers;buoyancy ratio number(N),Lewis number(Le),Richardson number(Ri)and Grashof number(Gr).The isotherms,isoconcentrations and streamlines as well as both average and local Nusselt and Sherwood numbers were studied.A finite volume scheme is adopted to solve the transport equations for continuity,momentum,energy and mass transfer.The results indicate that the use of fins on the inner cylinder with outer cylinder rotation,significantly improves the heat and mass transfer in the annulus.展开更多
This paper presents the effects of density difference on the three-dimensional （3D） distribution of random mixed packing. The random mixed packing dynamics of particles of two different densities are simulated. The ...This paper presents the effects of density difference on the three-dimensional （3D） distribution of random mixed packing. The random mixed packing dynamics of particles of two different densities are simulated. The initial state is homogeneous, but the final packing state is inhomogeneous. The segregation phenomenon （inhomogeneous distribution） is also observed. In the final state, the top layers are composed of mostly light particles. The several layers beneath the top contain more heavy particles than light particles. At the bottom, they also contain more heavy particles than light particles. Furthermore, at both the top and the bottom, particle clustering is observed. The current study also analyses the cause of this inhomogeneity in detail. The main cause of this phenomenon is the velocity difference after collision of these two types of particles induced by the density difference. The present study reveals that even if particles were perfectly mixed, the packing process would lead to the final inhomogeneous mixture. It suggests that special treatment may be required to get the true homogeneous packing.展开更多
Coherent jet technology has been widely used in EAF steelmaking process because of the longer potential core length and stronger impacting power of the supersonic oxygen jet. However, more oxygen and fuel gas are cons...Coherent jet technology has been widely used in EAF steelmaking process because of the longer potential core length and stronger impacting power of the supersonic oxygen jet. However, more oxygen and fuel gas are consumed to achieve excel- lent characteristics of coherent jets, which causes the increase in steelmaking cost. Computational fluid dynamics simulation and experimental measurement of the coherent jets with CH4 ＋ N2 mixed fuel gas were carried out aiming at reducing the consumption of fuel gas. The numerical simulation results showed good agreement with the experimental data. As a result, high proportion of N2 negatively affects the combustion of CH4, which is not good for the protection of oxygen jets. While the gas composition is 75% CH4 ＋ 25% N2, the N2 addition to the CH4 leads to an expanding of CH4 combustion zone, and the energy generated by the combustion reaction could be delivered to the molten bath more efficiently, which is one control scheme with high performance-price ratio.展开更多
Copula functions have been widely used in stochastic simulation and prediction of streamflow.However,existing models are usually limited to single two-dimensional or three-dimensional copulas with the same bivariate b...Copula functions have been widely used in stochastic simulation and prediction of streamflow.However,existing models are usually limited to single two-dimensional or three-dimensional copulas with the same bivariate block for all months.To address this limitation,this study developed a mixed D-vine copula-based conditional quantile model that can capture temporal correlations.This model can generate streamflow by selecting different historical streamflow variables as the conditions for different months and by exploiting the conditional quantile functions of streamflows in different months with mixed D-vine copulas.The up-to-down sequential method,which couples the maximum weight approach with the Akaike information criteria and the maximum likelihood approach,was used to determine the structures of multivariate Dvine copulas.The developed model was used in a case study to synthesize the monthly streamflow at the Tangnaihai hydrological station,the inflow control station of the Longyangxia Reservoir in the Yellow River Basin.The results showed that the developed model outperformed the commonly used bivariate copula model in terms of the performance in simulating the seasonality and interannual variability of streamflow.This model provides useful information for water-related natural hazard risk assessment and integrated water resources management and utilization.展开更多
Langmuir turbulence is a complex turbulent process in the ocean upper mixed layer.The Coriolis parameter has an important effect on Langmuir turbulence through the Coriolis-Stokes force and Ekman effect,however,this e...Langmuir turbulence is a complex turbulent process in the ocean upper mixed layer.The Coriolis parameter has an important effect on Langmuir turbulence through the Coriolis-Stokes force and Ekman effect,however,this effect on Langmuir turbulence has not been systematically investigated.Here,the impact of the Coriolis parameter on Langmuir turbulence with a change of latitude(LAT)from 20°N to 80°N is studied using a non-hydrostatic large eddy simulation model under an ideal condition.The results show that the ratio of the upper mixed layer depth to Ekman depth scale(RME)RME=0.266(LAT=50°N)is a key value(latitude)for the modulation effect of the Coriolis parameter on the mean and turbulent statistics of Langmuir turbulence.It is found that the rate of change of the sea surface temperature,upper mixed layer depth,entrainment flux,crosswind velocity,downwind vertical momentum flux,and turbulent kinetic energy budget terms associated with Langmuir turbulence are more evident at RME≤0.266(LAT≤50°N)than at RME≥0.266(LAT≥50°N).However,the rate of change of the depth-averaged crosswind vertical momentum flux does not have a clear variation between RME≤0.266 and RME≥0.266.The complex changes of both Langmuir turbulence characteristics and influence of Langmuir turbulence on the upper mixed layer with latitude presented here may provide more information for further improving Langmuir turbulence parameterization.展开更多
The two-phase detonation of suspended mixed cyclotrimethylenetrinitramine （i.e., RDX） and aluminum dust in air is simulated with a two-phase flow model. The parameters of the mixed RDX-AI dust detonation wave are ob...The two-phase detonation of suspended mixed cyclotrimethylenetrinitramine （i.e., RDX） and aluminum dust in air is simulated with a two-phase flow model. The parameters of the mixed RDX-AI dust detonation wave are obtained. The double-front detonation and steady state of detonation wave of the mixed dust are analyzed. For the dust mixed RDX with density of 0.565kg/m3 and radius of 10μm as well as aluminum with density of 0.145kg/m3 and radius of 4μm, the detonation wave will reach a steady state at 23m. The effects of the size of aluminum on the detonation are analyzed. For constant radius of RDX particles with radius of 10μm, as the radius of aluminum particles is larger than 2.0 μm, the double-front detonation can be observed due to the different ignition distances and reaction rates of RDX and aluminum particles. As the radius of aluminum particles is larger, the velocity, pressure and temperature of detonation wave will be slower. The pressure at the Chapman-Jouguet （CJ） point also becomes lower. Comparing the detonation with single RDX dust, the pressure and temperature in the flow field of detonation of mixed dust are higher.展开更多
This paper proposes a new, simple and efficient method for nonlinear simulation of arch dam cracking from the construction period to the operation period, which takes into account the arch dam construction process and...This paper proposes a new, simple and efficient method for nonlinear simulation of arch dam cracking from the construction period to the operation period, which takes into account the arch dam construction process and temperature loads. In the calculation mesh, the contact surface of pair nodes is located at places on the arch dam where cracking is possible. A new effective iterative method, the mixed finite element method for friction-contact problems, is improved and used for nonlinear simulation of the cracking process. The forces acting on the structure are divided into two parts： external forces and contact forces. The displacement of the structure is chosen as the basic variable and the nodal contact force in the possible contact region of the local coordinate system is chosen as the iterative variable, so that the nonlinear iterative process is only limited within the possible contact surface and is much more economical. This method was used to simulate the cracking process of the Shuanghe Arch Dam in Southwest China. In order to prove the validity and accuracy of this method and to study the effect of thermal stress on arch dam cracking, three schemes were designed for calculation. Numerical results agree with actual measured data, proving that it is feasible to use this method to simulate the entire process of nonlinear arch dam cracking.展开更多
An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly hand...An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly handle the case of the fast moving targets in high squint geometry.As for the issue,the analytical expression for the two Dimensional(2-D)signal spectrum of moving targets is derived and a fast raw echo simulation method is proposed in this study.The proposed simulator can accommodate the moving targets in the high squint geometry,whose processing steps of the simulation are given in detail and its computational complexity is analyzed.The simulation data for static and moving targets are processed and analyzed,and the results are given to validate the effectiveness of the proposed approach.展开更多
In this study, we develop a mixed reality game system to investigate characteristics ofjudgrnents of individual players in an evacuation process. The characteristics of judgments of the players that are inferred from ...In this study, we develop a mixed reality game system to investigate characteristics ofjudgrnents of individual players in an evacuation process. The characteristics of judgments of the players that are inferred from the performance of the game are then incorporated into a multi-agent simulation as rules. The behavior of evacuees is evaluated in approximations of real situations, by using the agent simulation including different judgments of evacuees. Using the results of the simulation, effective methods are discussed for achieving the escape of the evacuees within a short time.展开更多
Stimuli-responsive polymers capable of rapidly altering their chain conformation in response to external stimuli exhibit broad applica-tion prospects.Experiments have shown that pressure plays a pivotal role in regula...Stimuli-responsive polymers capable of rapidly altering their chain conformation in response to external stimuli exhibit broad applica-tion prospects.Experiments have shown that pressure plays a pivotal role in regulating the microscopic chain conformation of polymers in mixed solvents,and one notable finding is that increasing the pressure can lead to the vanishing of the co-nonsolvency effect.However,the mecha-nisms underlying this phenomenon remain unclear.In this study,we systematically investigated the influence of pressure on the co-nonsolvency effect of single-chain and multi-chain homopolymers in binary mixed good-solvent systems using molecular dynamics simulations.Our results show that the co-nonsolvency-induced chain conformation transition and aggregation behavior significantly depend on pressure in allsingle-chain and multi-chain systems.In single-chain systems,at low pressures,the polymer chain maintains a collapsed state over a wide range of co-solvent fractions(x-range)owing to the co-nonsolvency effect.As the pressure increases,the x-range of the collapsed state gradually narrows,ac-companied by a progressive expansion of the chain.In multichain systems,polymer chains assemble into approximately spherical aggregates over a broad x-range at low pressures owing to the co-nonsolvency effect.Increasing the pressure reduces the x-range for forming aggregates and leads to the formation of loose aggregates or even to a state of dispersed chains at some x-range.These findings indicate that increasing the pressure can weaken or even offset the co-nonsolvency effect in some x-range,which is in good agreement with the experimental observations.Quantitative analysis of the radial density distributions and radial distribution functions reveals that,with increasing pressure,(1)the densities of both polymers and co-solvent molecules within aggregates decrease,while that of the solvent molecule increases;and(2)the effective interac-tions between the polymer and the co-solvent weaken,whereas those between the polymer and solvent strengthen.This enhances the incorpo-ration of solvent molecules within the chains,thereby weakening or even suppressing the chain aggregation.Our study not only elucidates the regulatory mechanism of pressure on the microscopic chain conformations and aggregation behaviors of polymers,but also may provide theo-retical guidance for designing smart polymericmaterials based on mixed solvents.展开更多
The chain conformation of polymers in binary solvent mixtures is a key issue in the study of functional soft matter and lies at the heart of various applications such as smart soft materials.Based on a minimal lattice...The chain conformation of polymers in binary solvent mixtures is a key issue in the study of functional soft matter and lies at the heart of various applications such as smart soft materials.Based on a minimal lattice model,we employ Monte Carlo(MC)simulation to systematically investigate the effects of solvent qualities on the conformation of a single homopolymer chain in binary mixed solvents.We also perform calculations using a Flory-type mean-field theory.We focus on how the introduction of a second solvent B affects the dependence of chain conformation on the quality of solvent A.We mainly examine the effects of the composition of solvent B,denoted by x,and the interactions between the two solvents.First,when x is low,the mean-square chain radius of gyration exhibits qualitatively similar behaviors to those in an individual solvent A,with a slight chain contraction when solvent A is very good.Second,in equal-molar mixtures with x=0.5,a homopolymer chain collapses when solvent A is either poor or very good,while expands at intermediate qualities.Lastly,at large x,a chain undergoes a coil-to-globule transition with the increasing quality of solvent A when solvent B is good,but mainly adopts the collapsed conformation when solvent B is poor.Our findings not only improve our understanding on the chain conformation in binary solvent mixtures,but also provide valuable guidance on the rational design of stimuli-responsive polymeric materials.展开更多
文摘Because of the developed surface of the Triply PeriodicMinimumSurface(TPMS)structures,polylactide(PLA)products with a TPMS structure are thought to be promising bio soluble implants with the potential for targeted drug delivery.For implants,mechanical properties are key performance characteristics,so understanding the deformation and failure mechanisms is essential for selecting the appropriate implant structure.The deformation and fracture processes in PLA samples with different interior architectures have been studied through computer simulation and experimental research.Two TPMS topologies,the Schwarz Diamond and Gyroid architectures,were used for the sample construction by 3D printing.ANSYS software was utilized to simulate compressive deformation.It was found that under the same load,the vonMises stresses in the Gyroid structure are higher than those in the Schwartz Diamond structure,which was associated with the different orientations of the cells in the studied structures in relation to the direction of the loading axis.The deformation process occurs in the local regions of the studied TPMS structures.Maximum von Mises stresses were observed in the vertical parts of the structures oriented along the load direction.It was found that,unlike the Gyroid,the Schwartz Diamond structure contains a frame that forms unique stiffening ribs,which ensures the redistribution of the load under the vertical loading direction.An analysis of the mechanical characteristics of PLA samples with the Schwartz Diamond and Gyroid structures produced by the Fused Deposition Modeling(FDM)method was correlated with computer simulation.The Schwarz Diamond-type structure was shown to have a higher absorption energy than the Gyroid one.A study of the fracture in PLA samples with various cell sizes revealed a particular feature related to the samples’periodic surface topology and the 3D printing process.Scanning electron microscopic(SEM)studies of the samples deformed by compression showed thatwith an increase in the density of the samples,the failure mechanism changes from ductile to quasi-brittle due to the complex participation of both cell deformation and fiber deformation.
基金supported by the National Natural Science Foundation of China (Grant No.11574244 for G.Y.G.)the XJTU Research Fund for AI Science (Grant No.2025YXYC011 for G.Y.G.)the Hong Kong Global STEM Professorship Scheme (for X.C.Z.)。
文摘Compared to the well-studied two-dimensional(2D)ferroelectricity,the appearance of 2D antiferroelectricity is much rarer,where local dipoles from the nonequivalent sublattices within 2D monolayers are oppositely oriented.Using NbOCl_(2) monolayer with competing ferroelectric(FE)and antiferroelectric(AFE)phases as a 2D material platform,we demonstrate the emergence of intrinsic antiferroelectricity in NbOCl_(2) monolayer under experimentally accessible shear strain,along with new functionality associated with electric field-induced AFE-to-FE phase transition.Specifically,the complex configuration space accommodating FE and AFE phases,polarization switching kinetics,and finite temperature thermodynamic properties of 2D NbOCl_(2) are all accurately predicted by large-scale molecular dynamics simulations based on deep learning interatomic potential model.Moreover,room temperature stable antiferroelectricity with low polarization switching barrier and one-dimensional collinear polarization arrangement is predicted in shear-deformed NbOCl_(2) monolayer.The transition from AFE to FE phase in 2D NbOCl_(2) can be triggered by a low critical electric field,leading to a double polarization–electric(P–E)loop with small hysteresis.A new type of optoelectronic device composed of AFE-NbOCl_(2) is proposed,enabling electric“writing”and nonlinear optical“reading”logical operation with fast operation speed and low power consumption.
文摘Analysis of the environmental and economic performance of fishing vessels has received limited attention compared with other ship types despite their notable contribution to global greenhouse gas(GHG)emissions.This study evaluates the carbon footprint(CF)and economic viability of a liquefied natural gas(LNG)-fueled fishing vessel,using real engine operation simulations to provide precise and dynamic evaluation of fuel consumption and GHG emissions.Operational profiles are obtained through the utilization of onboard monitoring systems,whereas engine performance is simulated using the 1D/0D AVL Boost^(TM)model.Life cycle assessment(LCA)is conducted to quantify the environmental impact,whereas life cycle cost assessment(LCCA)is performed to analyze the profitability of LNG as an alternative fuel.The potential impact of the future fuel price uncertainties is addressed using Monte Carlo simulations.The LCA findings indicate that LNG has the potential to reduce the CF of the vessel by 14%to 16%,in comparison to a diesel power system configuration that serves as the baseline scenario.The LCCA results further indicate that the total cost of an LNG-powered ship is lower by 9.5%-13.8%,depending on the share of LNG and pilot fuels.This finding highlights the potential of LNG to produce considerable environmental benefits while addressing economic challenges under diverse operational and fuel price conditions.
基金financially supported by the National Key Research and Development Program of China (2022YFB3706802)。
文摘Automation and intelligence have become the primary trends in the design of investment casting processes.However,the design of gating and riser systems still lacks precise quantitative evaluation criteria.Numerical simulation plays a significant role in quantitatively evaluating current processes and making targeted improvements,but its limitations lie in the inability to dynamically reflect the formation outcomes of castings under varying process conditions,making real-time adjustments to gating and riser designs challenging.In this study,an automated design model for gating and riser systems based on integrated parametric 3D modeling-simulation framework is proposed,which enhances the flexibility and usability of evaluating the casting process by simulation.Firstly,geometric feature extraction technology is employed to obtain the geometric information of the target casting.Based on this information,an automated design framework for gating and riser systems is established,incorporating multiple structural parameters for real-time process control.Subsequently,the simulation results for various structural parameters are analyzed,and the influence of these parameters on casting formation is thoroughly investigated.Finally,the optimal design scheme is generated and validated through experimental verification.Simulation analysis and experimental results show that using a larger gate neck(24 mm in side length) and external risers promotes a more uniform temperature distribution and a more stable flow state,effectively eliminating shrinkage cavities and enhancing process yield by 15%.
基金supported by the National Natural Science Foundation of China(No.51176192)CAS Program(KGZD-EW-301)NOG Program(GHZ2012006003)
文摘Molecular dynamics simulations are performed to study the growth mechanism of CH4-CO2 mixed hydrate in xco2 = 75%, xco2 = 50%, and zco2 = 25% systems at T = 250 K, 255 K and 260 K, respectively. Our simulation results show that the growth rate of CH4-CO2 mixed hydrate increases as the CO2 concentration in the initial solution phase increases and the temperature decreases. Via hydrate formation, the composition of CO2 in hydrate phase is higher than that in initial solution phase and the encaging capacity of CO2 in hydrates increases with the decrease in temperature. By analysis of the cage occupancy ratio of CH4 molecules and CO2 molecules in large cages to small cages, we find that CO2 molecules are preferably encaged into the large cages of the hydrate crystal as compared with CH4 molecules. Interestingly, CH4 molecules and CO2 molecules frequently replace with each other in some particular cage sites adjacent to hydrate/solution interface during the crystal growth process. These two species of vip molecules eventually act to stabilize the newly formed hydrates, with CO2 molecules occupying large cages and CH4 molecules occupying small cages in hydrate.
基金co-supported by the National Key R&D Program of China(Nos.2017YFB0202400 and 2017YFB0202402)the National Natural Science Foundation of China(No.91741125)the Project of Newton International Fellowship Alumnus from Royal Society(No.AL120003)
文摘The numerical simulation of modern aero-engine combustion chamber needs accurate description of the interaction between turbulence and chemical reaction mechanism. The Large Eddy Simulation(LES) method with the Transported Probability Density Function(TPDF) turbulence combustion model is promising in engineering applications. In flame region, the impact of chemical reaction should be considered in TPDF molecular mixing model. Based on pioneer research, three new TPDF turbulence-chemistry dual time scale molecular mixing models were proposed tentatively by adding the chemistry time scale in molecular mixing model for nonpremixed flame. The Aero-Engine Combustor Simulation Code(AECSC) which is based on LES-TPDF method was combined with the three new models. Then the Sandia laboratory's methane-air jet flames: Flame D and Flame E were simulated. Transient simulation results show that all the three new models can predict the instantaneous combustion flow pattern of the jet flames. Furthermore,the average scalar statistical results were compared with the experimental data. The simulation result of the new TPDF arithmetic mean modification model is the closest to the experimental data:the average error in Flame D is 7.6% and 6.6% in Flame E. The extinction and re-ignition phenomena of the jet flames especially Flame E were captured. The turbulence time scale and the chemistry time scale are in different order in the whole flow field. The dual time scale TPDF combustion model has ability to deal with both the turbulence effect and the chemistry reaction effect, as well as their interaction more accurately for nonpremixed flames.
基金supported the National Science Foundation of China(61773051,61761166011,51705016)Beijing Natural Science Foundation(4172048)the Fundamental Research Funds for the Central Universities(2017JBZ003)
文摘The visual fidelity of bleeding simulation in a surgical simulator is critical since it will affect not only the degree of visual realism,but also the user’s medical judgment and treatment in real-life settings.The conventional marching cubes surface rendering algorithm provides excellent visual effect in rendering gushing blood,however,it is insufficient for blood flow,which is very common in surgical procedures,since in this case the rendered surface and depth textures of blood are rough.In this paper,we propose a new method called the mixed depth rendering for rendering blood flow in surgical simulation.A smooth height field is created to minimize the height difference between neighboring particles on the bleeding surface.The color and transparency of each bleeding area are determined by the number of bleeding particles,which is consistent with the real visual effect.In addition,there is no much extra computational cost.The rendering of blood flow in a variety of surgical scenarios shows that visual feedback is much improved.The proposed mixed depth rendering method is also used in a neurosurgery simulator that we developed.
文摘The multiscale hybrid-mixed(MHM)method is applied to the numerical approximation of two-dimensional matrix fluid flow in porous media with fractures.The two-dimensional fluid flow in the reservoir and the one-dimensional flow in the discrete fractures are approximated using mixed finite elements.The coupling of the two-dimensional matrix flow with the one-dimensional fracture flow is enforced using the pressure of the one-dimensional flow as a Lagrange multiplier to express the conservation of fluid transfer between the fracture flow and the divergence of the one-dimensional fracture flux.A zero-dimensional pressure(point element)is used to express conservation of mass where fractures intersect.The issuing simulation is then reduced using the MHM method leading to accurate results with a very reduced number of global equations.A general system was developed where fracture geometries and conductivities are specified in an input file and meshes are generated using the public domain mesh generator GMsh.Several test cases illustrate the effectiveness of the proposed approach by comparing the multiscale results with direct simulations.
文摘The present work relates to a numerical investigation of double diffusive mixed convection around a horizontal annulus with a finned inner cylinder.The solutal and thermal buoyancy forces are sustained by maintaining the inner and outer cylinders at uniform temperatures and concentrations.Buoyancy effects are also considered,with the Boussinesq approximation.The forced convection effect is induced by the outer cylinder rotating with an angular velocity(ω)in an anti-clockwise direction.The studies are made for various combinations of dimensionless numbers;buoyancy ratio number(N),Lewis number(Le),Richardson number(Ri)and Grashof number(Gr).The isotherms,isoconcentrations and streamlines as well as both average and local Nusselt and Sherwood numbers were studied.A finite volume scheme is adopted to solve the transport equations for continuity,momentum,energy and mass transfer.The results indicate that the use of fins on the inner cylinder with outer cylinder rotation,significantly improves the heat and mass transfer in the annulus.
基金supported by the State Key Development Program for Basic Research of China (973 Program) (Grant No. 2007CB616905)the National High Technology Research and Development Program of China (863 Program) (Grant No. 2007AA03Z112)+1 种基金the National Natural Science Foundation of China (Grant No. 10805019)the Natural Science Foundation of Guangdong Province of China (Grant No. 8451064101000083)
文摘This paper presents the effects of density difference on the three-dimensional （3D） distribution of random mixed packing. The random mixed packing dynamics of particles of two different densities are simulated. The initial state is homogeneous, but the final packing state is inhomogeneous. The segregation phenomenon （inhomogeneous distribution） is also observed. In the final state, the top layers are composed of mostly light particles. The several layers beneath the top contain more heavy particles than light particles. At the bottom, they also contain more heavy particles than light particles. Furthermore, at both the top and the bottom, particle clustering is observed. The current study also analyses the cause of this inhomogeneity in detail. The main cause of this phenomenon is the velocity difference after collision of these two types of particles induced by the density difference. The present study reveals that even if particles were perfectly mixed, the packing process would lead to the final inhomogeneous mixture. It suggests that special treatment may be required to get the true homogeneous packing.
基金This work was financially supported by the National Natural Science Foundation of China （Grant Nos. 51574021 and 51474024）.
文摘Coherent jet technology has been widely used in EAF steelmaking process because of the longer potential core length and stronger impacting power of the supersonic oxygen jet. However, more oxygen and fuel gas are consumed to achieve excel- lent characteristics of coherent jets, which causes the increase in steelmaking cost. Computational fluid dynamics simulation and experimental measurement of the coherent jets with CH4 ＋ N2 mixed fuel gas were carried out aiming at reducing the consumption of fuel gas. The numerical simulation results showed good agreement with the experimental data. As a result, high proportion of N2 negatively affects the combustion of CH4, which is not good for the protection of oxygen jets. While the gas composition is 75% CH4 ＋ 25% N2, the N2 addition to the CH4 leads to an expanding of CH4 combustion zone, and the energy generated by the combustion reaction could be delivered to the molten bath more efficiently, which is one control scheme with high performance-price ratio.
基金supported by the National Natural Science Foundation of China(Grant No.52109010)the Postdoctoral Science Foundation of China(Grant No.2021M701047)the China National Postdoctoral Program for Innovative Talents(Grant No.BX20200113).
文摘Copula functions have been widely used in stochastic simulation and prediction of streamflow.However,existing models are usually limited to single two-dimensional or three-dimensional copulas with the same bivariate block for all months.To address this limitation,this study developed a mixed D-vine copula-based conditional quantile model that can capture temporal correlations.This model can generate streamflow by selecting different historical streamflow variables as the conditions for different months and by exploiting the conditional quantile functions of streamflows in different months with mixed D-vine copulas.The up-to-down sequential method,which couples the maximum weight approach with the Akaike information criteria and the maximum likelihood approach,was used to determine the structures of multivariate Dvine copulas.The developed model was used in a case study to synthesize the monthly streamflow at the Tangnaihai hydrological station,the inflow control station of the Longyangxia Reservoir in the Yellow River Basin.The results showed that the developed model outperformed the commonly used bivariate copula model in terms of the performance in simulating the seasonality and interannual variability of streamflow.This model provides useful information for water-related natural hazard risk assessment and integrated water resources management and utilization.
基金supported by the National Key Research and Development Program of China (Grant No. 2018YFC1405701)the National Natural Science Foundation of China (Grant Nos. 92158204, 41506001, 42076019, 42076026 and 41876017)the Project supported by Southern Marine Science and Engineering Guangdong Laboratory (Guangzhou) (Grant No. GML2019ZD0304)
文摘Langmuir turbulence is a complex turbulent process in the ocean upper mixed layer.The Coriolis parameter has an important effect on Langmuir turbulence through the Coriolis-Stokes force and Ekman effect,however,this effect on Langmuir turbulence has not been systematically investigated.Here,the impact of the Coriolis parameter on Langmuir turbulence with a change of latitude(LAT)from 20°N to 80°N is studied using a non-hydrostatic large eddy simulation model under an ideal condition.The results show that the ratio of the upper mixed layer depth to Ekman depth scale(RME)RME=0.266(LAT=50°N)is a key value(latitude)for the modulation effect of the Coriolis parameter on the mean and turbulent statistics of Langmuir turbulence.It is found that the rate of change of the sea surface temperature,upper mixed layer depth,entrainment flux,crosswind velocity,downwind vertical momentum flux,and turbulent kinetic energy budget terms associated with Langmuir turbulence are more evident at RME≤0.266(LAT≤50°N)than at RME≥0.266(LAT≥50°N).However,the rate of change of the depth-averaged crosswind vertical momentum flux does not have a clear variation between RME≤0.266 and RME≥0.266.The complex changes of both Langmuir turbulence characteristics and influence of Langmuir turbulence on the upper mixed layer with latitude presented here may provide more information for further improving Langmuir turbulence parameterization.
文摘The two-phase detonation of suspended mixed cyclotrimethylenetrinitramine （i.e., RDX） and aluminum dust in air is simulated with a two-phase flow model. The parameters of the mixed RDX-AI dust detonation wave are obtained. The double-front detonation and steady state of detonation wave of the mixed dust are analyzed. For the dust mixed RDX with density of 0.565kg/m3 and radius of 10μm as well as aluminum with density of 0.145kg/m3 and radius of 4μm, the detonation wave will reach a steady state at 23m. The effects of the size of aluminum on the detonation are analyzed. For constant radius of RDX particles with radius of 10μm, as the radius of aluminum particles is larger than 2.0 μm, the double-front detonation can be observed due to the different ignition distances and reaction rates of RDX and aluminum particles. As the radius of aluminum particles is larger, the velocity, pressure and temperature of detonation wave will be slower. The pressure at the Chapman-Jouguet （CJ） point also becomes lower. Comparing the detonation with single RDX dust, the pressure and temperature in the flow field of detonation of mixed dust are higher.
基金supported by the National Nature Science Foundation of China (Grant No 90510017)
文摘This paper proposes a new, simple and efficient method for nonlinear simulation of arch dam cracking from the construction period to the operation period, which takes into account the arch dam construction process and temperature loads. In the calculation mesh, the contact surface of pair nodes is located at places on the arch dam where cracking is possible. A new effective iterative method, the mixed finite element method for friction-contact problems, is improved and used for nonlinear simulation of the cracking process. The forces acting on the structure are divided into two parts： external forces and contact forces. The displacement of the structure is chosen as the basic variable and the nodal contact force in the possible contact region of the local coordinate system is chosen as the iterative variable, so that the nonlinear iterative process is only limited within the possible contact surface and is much more economical. This method was used to simulate the cracking process of the Shuanghe Arch Dam in Southwest China. In order to prove the validity and accuracy of this method and to study the effect of thermal stress on arch dam cracking, three schemes were designed for calculation. Numerical results agree with actual measured data, proving that it is feasible to use this method to simulate the entire process of nonlinear arch dam cracking.
文摘An accurate and efficient Synthetic Aperture Radar(SAR)raw data generator is of considerable value for testing system parameters and verifying imaging algorithms.Nevertheless,the existing simulator cannot exactly handle the case of the fast moving targets in high squint geometry.As for the issue,the analytical expression for the two Dimensional(2-D)signal spectrum of moving targets is derived and a fast raw echo simulation method is proposed in this study.The proposed simulator can accommodate the moving targets in the high squint geometry,whose processing steps of the simulation are given in detail and its computational complexity is analyzed.The simulation data for static and moving targets are processed and analyzed,and the results are given to validate the effectiveness of the proposed approach.
文摘In this study, we develop a mixed reality game system to investigate characteristics ofjudgrnents of individual players in an evacuation process. The characteristics of judgments of the players that are inferred from the performance of the game are then incorporated into a multi-agent simulation as rules. The behavior of evacuees is evaluated in approximations of real situations, by using the agent simulation including different judgments of evacuees. Using the results of the simulation, effective methods are discussed for achieving the escape of the evacuees within a short time.
基金support provided by the National Natural Science Foundation of China(Nos.22173051,21829301,21774066),PCSIRT(IRT1257)the College Discipline Innovation and Intelligence Introduction Program(111 Project(B16027)+2 种基金the International Cooperation Base(No.2016D01025)Tianjin International Joint Research and Development Center)P.Zhang acknowledges the financial support provided by NSFC(No.22473024).
文摘Stimuli-responsive polymers capable of rapidly altering their chain conformation in response to external stimuli exhibit broad applica-tion prospects.Experiments have shown that pressure plays a pivotal role in regulating the microscopic chain conformation of polymers in mixed solvents,and one notable finding is that increasing the pressure can lead to the vanishing of the co-nonsolvency effect.However,the mecha-nisms underlying this phenomenon remain unclear.In this study,we systematically investigated the influence of pressure on the co-nonsolvency effect of single-chain and multi-chain homopolymers in binary mixed good-solvent systems using molecular dynamics simulations.Our results show that the co-nonsolvency-induced chain conformation transition and aggregation behavior significantly depend on pressure in allsingle-chain and multi-chain systems.In single-chain systems,at low pressures,the polymer chain maintains a collapsed state over a wide range of co-solvent fractions(x-range)owing to the co-nonsolvency effect.As the pressure increases,the x-range of the collapsed state gradually narrows,ac-companied by a progressive expansion of the chain.In multichain systems,polymer chains assemble into approximately spherical aggregates over a broad x-range at low pressures owing to the co-nonsolvency effect.Increasing the pressure reduces the x-range for forming aggregates and leads to the formation of loose aggregates or even to a state of dispersed chains at some x-range.These findings indicate that increasing the pressure can weaken or even offset the co-nonsolvency effect in some x-range,which is in good agreement with the experimental observations.Quantitative analysis of the radial density distributions and radial distribution functions reveals that,with increasing pressure,(1)the densities of both polymers and co-solvent molecules within aggregates decrease,while that of the solvent molecule increases;and(2)the effective interac-tions between the polymer and the co-solvent weaken,whereas those between the polymer and solvent strengthen.This enhances the incorpo-ration of solvent molecules within the chains,thereby weakening or even suppressing the chain aggregation.Our study not only elucidates the regulatory mechanism of pressure on the microscopic chain conformations and aggregation behaviors of polymers,but also may provide theo-retical guidance for designing smart polymericmaterials based on mixed solvents.
基金financially supported by the National Natural Science Foundation of China(Nos.22473024,22073016 and 21803011)the award of Shanghai Dongfang Scholar。
文摘The chain conformation of polymers in binary solvent mixtures is a key issue in the study of functional soft matter and lies at the heart of various applications such as smart soft materials.Based on a minimal lattice model,we employ Monte Carlo(MC)simulation to systematically investigate the effects of solvent qualities on the conformation of a single homopolymer chain in binary mixed solvents.We also perform calculations using a Flory-type mean-field theory.We focus on how the introduction of a second solvent B affects the dependence of chain conformation on the quality of solvent A.We mainly examine the effects of the composition of solvent B,denoted by x,and the interactions between the two solvents.First,when x is low,the mean-square chain radius of gyration exhibits qualitatively similar behaviors to those in an individual solvent A,with a slight chain contraction when solvent A is very good.Second,in equal-molar mixtures with x=0.5,a homopolymer chain collapses when solvent A is either poor or very good,while expands at intermediate qualities.Lastly,at large x,a chain undergoes a coil-to-globule transition with the increasing quality of solvent A when solvent B is good,but mainly adopts the collapsed conformation when solvent B is poor.Our findings not only improve our understanding on the chain conformation in binary solvent mixtures,but also provide valuable guidance on the rational design of stimuli-responsive polymeric materials.
