Contact detection is the most time-consuming stage in 3D discontinuous deformation analysis(3D-DDA)computation.Improving the efficiency of 3D-DDA is beneficial for its application in large-scale computing.In this stud...Contact detection is the most time-consuming stage in 3D discontinuous deformation analysis(3D-DDA)computation.Improving the efficiency of 3D-DDA is beneficial for its application in large-scale computing.In this study,aiming at the continuous-discontinuous simulation of 3D-DDA,a highly efficient contact detection strategy is proposed.Firstly,the global direct search(GDS)method is integrated into the 3D-DDA framework to address intricate contact scenarios.Subsequently,all geometric elements,including blocks,faces,edges,and vertices are divided into searchable and unsearchable parts.Contacts between unsearchable geometric elements would be directly inherited,while only searchable geometric elements are involved in contact detection.This strategy significantly reduces the number of geometric elements involved in contact detection,thereby markedly enhancing the computation efficiency.Several examples are adopted to demonstrate the accuracy and efficiency of the improved 3D-DDA method.The rock pillars with different mesh sizes are simulated under self-weight.The deformation and stress are consistent with the analytical results,and the smaller the mesh size,the higher the accuracy.The maximum speedup ratio is 38.46 for this case.Furthermore,the Brazilian splitting test on the discs with different flaws is conducted.The results show that the failure pattern of the samples is consistent with the results obtained by other methods and experiments,and the maximum speedup ratio is 266.73.Finally,a large-scale impact test is performed,and approximately 3.2 times enhanced efficiency is obtained.The proposed contact detection strategy significantly improves efficiency when the rock has not completely failed,which is more suitable for continuous-discontinuous simulation.展开更多
Wire arc additive manufacturing(WAAM)has emerged as a promising technique for producing large-scale metal components,favoured by high deposition rates,flexibility and low cost.Despite its potential,the complexity of W...Wire arc additive manufacturing(WAAM)has emerged as a promising technique for producing large-scale metal components,favoured by high deposition rates,flexibility and low cost.Despite its potential,the complexity of WAAM processes,which involves intricate thermal dynamics,phase transitions,and metallurgical,mechanical,and chemical interactions,presents considerable challenges in final product qualities.Simulation technologies in WAAM have proven invaluable,providing accurate predictions in key areas such as material properties,defect identification,deposit morphology,and residual stress.These predictions play a critical role in optimising manufacturing strategies for the final product.This paper provides a comprehensive review of the simulation techniques applied in WAAM,tracing developments from 2013 to 2023.Initially,it analyses the current challenges faced by simulation methods in three main areas.Subsequently,the review explores the current modelling approaches and the applications of these simulations.Following this,the paper discusses the present state of WAAM simulation,identifying specific issues inherent to WAAM simulation itself.Finally,through a thorough review of existing literature and related analysis,the paper offers future perspectives on potential advancements in WAAM simulation strategies.展开更多
Drilling and blasting,characterized by their efficiency,ubiquity,and cost-effectiveness,have emerged as predominant techniques in rock excavation;however,they are accompanied by enormous destructive power.Accurately c...Drilling and blasting,characterized by their efficiency,ubiquity,and cost-effectiveness,have emerged as predominant techniques in rock excavation;however,they are accompanied by enormous destructive power.Accurately controlling the blasting energy and achieving the directional fracture of a rock mass have become common problems in the field.A two-dimensional blasting(2D blasting)technique was proposed that utilizes the characteristic that the tensile strength of a rock mass is significantly lower than its compressive strength.After blasting,only a 2D crack surface is generated along the predetermined direction,eliminating the damage to the reserved rock mass caused by conventional blasting.However,the interior of a natural rock mass is a"black box",and the process of crack propagation is difficult to capture,resulting in an unclear 2D blasting mechanism.To this end,a single-hole polymethyl methacrylate(PMMA)test piece was used to conduct a 2D blasting experiment with the help of a high-speed camera to capture the dynamic crack propagation process and the digital image correlation(DIC)method to analyze the evolution law of surface strain on the test piece.On this basis,a three-dimensional(3D)finite element model was established based on the progressive failure theory to simulate the stress,strain,damage,and displacement evolution process of the model under 2D blasting.The simulation results were consistent with the experimental results.The research results reveal the 2D blasting mechanism and provide theoretical support for the application of 2D blasting technology in the field of rock excavation.展开更多
To further research on high-parameter plasma,we plan to develop a two-dimensional hard X-ray(HXR)imaging system at the HL-3 tokamak to measure HXRs with energies ranging from 20 to 300 keV.The application of an array-...To further research on high-parameter plasma,we plan to develop a two-dimensional hard X-ray(HXR)imaging system at the HL-3 tokamak to measure HXRs with energies ranging from 20 to 300 keV.The application of an array-structured detector ensures that this system can measure HXR-radiation spectra from the entire plasma cross section.Therefore,it is suitable for the study of fast-electron physics,such as radio-frequency wave current drives,fast electrons driving instabilities,and plasma disruptions in fusion research.In this study,we develop a simulation for calculating fast-electron bremsstrahlung in the HL-3 tokamak based on the Monte Carlo simulation code Geant4,in which the plasma geometry and forward scattering of fast-electron bremsstrahlung are considered.The preliminary calculation results indicate that the HXR energy deposi-tion on the detector is symmetrically distributed,even though the plasma distribution is asymmetric owing to the toroidal effect.These simulation results are helpful in constructing the relationship between the energy deposition on the detector and parameter distribution on the plasma cross section during HL-3 experiments.This is beneficial for the reconstruction of the fast-electron-distribution function and for optimizing the design of the HXR-imaging system.展开更多
Radiative cooling materials have gained prominence as a zero-energy solution for mitigating global warming.However,a comprehensive understanding of the atomic-scale optical properties and macroscopic optical performan...Radiative cooling materials have gained prominence as a zero-energy solution for mitigating global warming.However,a comprehensive understanding of the atomic-scale optical properties and macroscopic optical performance of radiative cooling materials remains elusive,limiting insight into the underlying physics of their optical response and cooling efficacy.La_(2)O_(3)and HfO_(2),which represent rare earth and third/fourth subgroup inorganic oxides,respectively,show promise for radiative cooling applications.In this study,we used multiscale simulations to investigate the optical properties of La_(2)O_(3)and HfO_(2)across a broad spectrum.First-principles calculations revealed their dielectric functions and intrinsic refractive indices,and the results indicated that the slightly smaller bandgap of La_(2)O_(3)compared to HfO_(2)induces a higher refractive index in the solar band.Additionally,three-phonon scattering was found to provide more accurate infrared optical properties than two-phonon scattering,which enhanced the emissivity in the sky window.Monte Carlo simulations were also used to determine the macroscopic optical properties of La_(2)O_(3)and HfO_(2)coatings.Based on the simulated results,we identified that the particle size and particle volume fraction play a dominant role in the optical properties.Our findings underscore the potential of La_(2)O_(3)and HfO_(2)nanocomposites for environment-friendly cooling and offer a new approach for high-throughput screening of optical materials through multiscale simulations.展开更多
The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the pro...The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the proton conductivity of Nafion/Ti_(3)C_(2)T_(x) composite membrane is improved significantly compared with that in pure Nafion. However, the microscopic mechanism of doping on the enhancement of membrane performance is remain unclear now. In this work, molecular dynamics simulation was used to investigate the microscopic morphology and proton transport behaviors of Nafion/Ti_(3)C_(2)T_(x) composite membrane at the molecular level. The results shown that there were significant differences about the diffusion kinetics of water molecules and hydroxium ions in Nafion/Ti_(3)C_(2)T_(x) at low and high hydration levels in the nanoscale region.With the increase of water content, Ti_(3)C_(2)T_(x) in membrane was gradually surrounded by ambient water molecules to form a hydration layer, and forming a relatively continuous proton transport channel between Nafion polymer and Ti_(3)C_(2)T_(x) monomer. The continuous proton transport channel could increase the number of binding sites of proton and thus achieving high proton conductivity and high mobility of water molecules at higher hydration level. The current work can provide a theoretical guidance for designing new type of Nafion composite membranes.展开更多
Upon the conservation of mass, momentum and energy, volume fraction and surface penetrative rate were employed to modify the conservative equations to simulate the effect of blockages on fluid flows and heat transfer....Upon the conservation of mass, momentum and energy, volume fraction and surface penetrative rate were employed to modify the conservative equations to simulate the effect of blockages on fluid flows and heat transfer. These equations were solved numerically with the finite differential method and the primitive variable approach. This method uses staggered grid and pressure correction schemes. A computer code FASTOR3D integrated the aforementioned algorithm. The preliminary results have been compared with conventional benchmark solutions. With auxiliary software DV, the numerical results were visualized in colorful images to demonstrate the variation of flow patterns and temperature profiles during the transient process. The results of the simulation code for the fluid flows and heat transfer in the sodium pool of a fast breeder reactor are acceptable.展开更多
The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated...The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature （Tc） is close to the glass transition point in structure （TgStr）.展开更多
The three-dimensional （3D） processing maps considering strain based on the two-dimensional （2D） processing maps proposed by PRASAD can describe the distribution of the efficiency of power dissipation and flow inst...The three-dimensional （3D） processing maps considering strain based on the two-dimensional （2D） processing maps proposed by PRASAD can describe the distribution of the efficiency of power dissipation and flow instability regions at various temperatures, strain rates and strains, which exhibit intrinsic workability related to material itself. Finite element （FE） simulation can obtain the distribution of strain, strain rate, temperature and die filling status, which indicates state-of-stress （SOS） workability decided by die shape and different processing conditions. On the basis of this, a new material driven analysis method for hot deformation was put forward by the combination of FE simulation with 3D processing maps, which can demonstrate material workability of the entire hot deformation process including SOS workability and intrinsic workability. The hot forging process for hard-to-work metal magnesium alloy was studied, and the 3D thermomechanical FE simulation including 3D processing maps of complex hot forging spur bevel gear was first conducted. The hot forging experiments were carried out. The results show that the new method is reasonable and suitable to determine the aoorooriate nrocess narameters.展开更多
An SOI MOSFET with FINFET structure is simulated using a 3 D simulator. I V characteristics and sub threshold characteristics,as well as the short channel effect(SCE) are carefully investigated.SCE can be well c...An SOI MOSFET with FINFET structure is simulated using a 3 D simulator. I V characteristics and sub threshold characteristics,as well as the short channel effect(SCE) are carefully investigated.SCE can be well controlled by reducing fin height.Good performance can be achieved with thin height,so fin height is considered as a key parameter in device design.Simulation results show that FINFETs present performance superior to conventional single gate devices.展开更多
随着5G移动视频应用加速落地以及国内视频流需求的迅速激增,迫切需要一种新的数据传输协议来提供可靠的安全性,以保障上层应用处理更多的接入连接以及满足更低的延时需求.多路径QUIC协议(Multipath Quick UDP Internet Connection,MPQU...随着5G移动视频应用加速落地以及国内视频流需求的迅速激增,迫切需要一种新的数据传输协议来提供可靠的安全性,以保障上层应用处理更多的接入连接以及满足更低的延时需求.多路径QUIC协议(Multipath Quick UDP Internet Connection,MPQUIC)具有拟合多条链路带宽资源、强大连接的容错能力和高可靠性等优点,被认为将在未来移动互联网数据传输中发挥重要的作用.然而,目前国内外研究人员对于MPQUIC协议的相关研究正处于初步阶段,该协议还没有一个普适性的、开源的仿真平台.因此,借助全球网络仿真领域应用最广的NS-3网络模拟器搭建了MPQUIC仿真平台(ns3-mpquic),为相关学者提供研究MPQUIC协议的开源、免费、普适的基础平台,为全球专家学者对MPQUIC协议的模拟部署和优化提供助力.展开更多
Single event transient of a real p-n junction in a 0.18μm bulk process is studied by 3D TCAD simulation. The impact of voltage, temperature, substrate concentration, and LET on SET is studied. Our simulation results ...Single event transient of a real p-n junction in a 0.18μm bulk process is studied by 3D TCAD simulation. The impact of voltage, temperature, substrate concentration, and LET on SET is studied. Our simulation results demonstrate that biases in the range 1.62 to 1.98V influence DSET current shape greatly and total collected charge weakly. Peak current and charge collection within 2ns decreases as temperature increases,and temperature has a stronger influence on SET currents than on total charge. Typical variation of substrate concentration in modern VDSM processes has a negligible effect on SEEs. Both peak current and total collection charge increases as LET increases.展开更多
采用计算化学模拟方法,在MP2/6-311++g(d,p)、B3LYP/6-311++g(d,p)、PBE0/6-311++g(d,p)、wb97xd/6-311++g(d,p)、MP2/aug-cc-PVTZ、B3LYP/aug-cc-PVTZ、PBE0/aug-cc-PVTZ、wb97xd/aug-cc-PVTZ水平上考察了PH_(3)、PF_(3)及PCl_(3)的原...采用计算化学模拟方法,在MP2/6-311++g(d,p)、B3LYP/6-311++g(d,p)、PBE0/6-311++g(d,p)、wb97xd/6-311++g(d,p)、MP2/aug-cc-PVTZ、B3LYP/aug-cc-PVTZ、PBE0/aug-cc-PVTZ、wb97xd/aug-cc-PVTZ水平上考察了PH_(3)、PF_(3)及PCl_(3)的原子偶极矩校正的Hirsh⁃feld布局电荷(atomic dipole moment corrected Hirshfeld population,ADCH电荷)、分子中的原子理论电荷(atoms in molecules,AIM电荷),自然电子构型、电子定域函数填充图和分子中的原子理论平面临界点图。模拟结果表明,在PH_(3)分子中,磷上为负电荷,氢上为正电荷;而PF_(3)、PCl_(3)分子中磷上为正电荷,氟或氯上为负电荷。PF_(3),PCl_(3)偶极矩变化不大的原因是尽管PF_(3)中正负电性高,但其键长短,而PCl_(3)中正负电性低,但其键长更长。并且可以通过改变和磷键合的不同原子,改变磷原子上的电荷、孤对电子所在的杂化轨道类型、轨道的电子布居数,从而调控含磷化合物的配位性。展开更多
Based on hot compression tests by a Gleeble-1500D thermo-mechanical simulator, the flow stress model and microstructure evolution model for SA508-3 steel were established through the classical theories on work hardeni...Based on hot compression tests by a Gleeble-1500D thermo-mechanical simulator, the flow stress model and microstructure evolution model for SA508-3 steel were established through the classical theories on work hardening and softening. The developed models were integrated into 3D thermal-mechanical coupled rigid plastic finite element software DEFORM3D. The inhomogeneous hot deformation （IHD） experiments of SA508 3 steel were designed and carried out. Meanwhile, numerical simulation was implemented to investigate the effect of temperature, strain and strain rate on microstructure during IHD process through measuring grain sizes at given positions. The simulated grain sizes were basically in agreement with the experimental ones. The results of experiment and simulation demonstrated that temperature is the main factor for the initiation of dynamic recrystallization （DRX）, and higher temperature means lower critical strain so that DRX can be facilitated to obtain uniform fine microstructure.展开更多
Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol develo...Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol development and application testing of LEO-SCN are challenging to carry out in a natural environment.Simulation platforms are a more effective means of technology demonstration.Currently available simulators have a single function and limited simulation scale.There needs to be a simulator for full-featured simulation.In this paper,we apply the parallel discrete-event simulation technique to the simulation of LEO-SCN to support large-scale complex system simulation at the packet level.To solve the problem that single-process programs cannot cope with complex simulations containing numerous entities,we propose a parallel mechanism and algorithms LP-NM and LP-YAWNS for synchronization.In the experiment,we use ns-3 to verify the acceleration ratio and efficiency of the above algorithms.The results show that our proposed mechanism can provide parallel simulation engine support for the LEO-SCN.展开更多
基金financially supported by the National Key R&D Program of China(Grant No.2023YFC3081200)the National Natural Science Foundation of China(Grant Nos.U21A20159 and 52179117).
文摘Contact detection is the most time-consuming stage in 3D discontinuous deformation analysis(3D-DDA)computation.Improving the efficiency of 3D-DDA is beneficial for its application in large-scale computing.In this study,aiming at the continuous-discontinuous simulation of 3D-DDA,a highly efficient contact detection strategy is proposed.Firstly,the global direct search(GDS)method is integrated into the 3D-DDA framework to address intricate contact scenarios.Subsequently,all geometric elements,including blocks,faces,edges,and vertices are divided into searchable and unsearchable parts.Contacts between unsearchable geometric elements would be directly inherited,while only searchable geometric elements are involved in contact detection.This strategy significantly reduces the number of geometric elements involved in contact detection,thereby markedly enhancing the computation efficiency.Several examples are adopted to demonstrate the accuracy and efficiency of the improved 3D-DDA method.The rock pillars with different mesh sizes are simulated under self-weight.The deformation and stress are consistent with the analytical results,and the smaller the mesh size,the higher the accuracy.The maximum speedup ratio is 38.46 for this case.Furthermore,the Brazilian splitting test on the discs with different flaws is conducted.The results show that the failure pattern of the samples is consistent with the results obtained by other methods and experiments,and the maximum speedup ratio is 266.73.Finally,a large-scale impact test is performed,and approximately 3.2 times enhanced efficiency is obtained.The proposed contact detection strategy significantly improves efficiency when the rock has not completely failed,which is more suitable for continuous-discontinuous simulation.
基金supported in part by China Scholarship Council under Grant 202208200010。
文摘Wire arc additive manufacturing(WAAM)has emerged as a promising technique for producing large-scale metal components,favoured by high deposition rates,flexibility and low cost.Despite its potential,the complexity of WAAM processes,which involves intricate thermal dynamics,phase transitions,and metallurgical,mechanical,and chemical interactions,presents considerable challenges in final product qualities.Simulation technologies in WAAM have proven invaluable,providing accurate predictions in key areas such as material properties,defect identification,deposit morphology,and residual stress.These predictions play a critical role in optimising manufacturing strategies for the final product.This paper provides a comprehensive review of the simulation techniques applied in WAAM,tracing developments from 2013 to 2023.Initially,it analyses the current challenges faced by simulation methods in three main areas.Subsequently,the review explores the current modelling approaches and the applications of these simulations.Following this,the paper discusses the present state of WAAM simulation,identifying specific issues inherent to WAAM simulation itself.Finally,through a thorough review of existing literature and related analysis,the paper offers future perspectives on potential advancements in WAAM simulation strategies.
基金supported by the National Natural Science Foundation of China(Grant Nos.52404155 and 52304111)State Key Laboratory for Geomechanics and Deep Underground Engineering,China University of Mining&Technology,Beijing(Grant No.XD2024006).
文摘Drilling and blasting,characterized by their efficiency,ubiquity,and cost-effectiveness,have emerged as predominant techniques in rock excavation;however,they are accompanied by enormous destructive power.Accurately controlling the blasting energy and achieving the directional fracture of a rock mass have become common problems in the field.A two-dimensional blasting(2D blasting)technique was proposed that utilizes the characteristic that the tensile strength of a rock mass is significantly lower than its compressive strength.After blasting,only a 2D crack surface is generated along the predetermined direction,eliminating the damage to the reserved rock mass caused by conventional blasting.However,the interior of a natural rock mass is a"black box",and the process of crack propagation is difficult to capture,resulting in an unclear 2D blasting mechanism.To this end,a single-hole polymethyl methacrylate(PMMA)test piece was used to conduct a 2D blasting experiment with the help of a high-speed camera to capture the dynamic crack propagation process and the digital image correlation(DIC)method to analyze the evolution law of surface strain on the test piece.On this basis,a three-dimensional(3D)finite element model was established based on the progressive failure theory to simulate the stress,strain,damage,and displacement evolution process of the model under 2D blasting.The simulation results were consistent with the experimental results.The research results reveal the 2D blasting mechanism and provide theoretical support for the application of 2D blasting technology in the field of rock excavation.
基金supported by the National Natural Science Foundation of China(No.12305239)Scientific Research Foundation of Chongqing University of Technology(No.2023ZDZ053)National Key R&D Program of China(No.2019YFE03010001).
文摘To further research on high-parameter plasma,we plan to develop a two-dimensional hard X-ray(HXR)imaging system at the HL-3 tokamak to measure HXRs with energies ranging from 20 to 300 keV.The application of an array-structured detector ensures that this system can measure HXR-radiation spectra from the entire plasma cross section.Therefore,it is suitable for the study of fast-electron physics,such as radio-frequency wave current drives,fast electrons driving instabilities,and plasma disruptions in fusion research.In this study,we develop a simulation for calculating fast-electron bremsstrahlung in the HL-3 tokamak based on the Monte Carlo simulation code Geant4,in which the plasma geometry and forward scattering of fast-electron bremsstrahlung are considered.The preliminary calculation results indicate that the HXR energy deposi-tion on the detector is symmetrically distributed,even though the plasma distribution is asymmetric owing to the toroidal effect.These simulation results are helpful in constructing the relationship between the energy deposition on the detector and parameter distribution on the plasma cross section during HL-3 experiments.This is beneficial for the reconstruction of the fast-electron-distribution function and for optimizing the design of the HXR-imaging system.
基金the National Natural Science Foundation of China(Grant Nos.U23A20565,52301194,and 52101178)the Shanghai Science and Technology Commission(Grant No.22511100400)+1 种基金the startup funding from Shanghai Jiao Tong University(Grant No.WH220405009)Innovation Program of Shanghai Municipal Education Commission(Grant No.2023ZKZD15)for providing funding support for this research。
文摘Radiative cooling materials have gained prominence as a zero-energy solution for mitigating global warming.However,a comprehensive understanding of the atomic-scale optical properties and macroscopic optical performance of radiative cooling materials remains elusive,limiting insight into the underlying physics of their optical response and cooling efficacy.La_(2)O_(3)and HfO_(2),which represent rare earth and third/fourth subgroup inorganic oxides,respectively,show promise for radiative cooling applications.In this study,we used multiscale simulations to investigate the optical properties of La_(2)O_(3)and HfO_(2)across a broad spectrum.First-principles calculations revealed their dielectric functions and intrinsic refractive indices,and the results indicated that the slightly smaller bandgap of La_(2)O_(3)compared to HfO_(2)induces a higher refractive index in the solar band.Additionally,three-phonon scattering was found to provide more accurate infrared optical properties than two-phonon scattering,which enhanced the emissivity in the sky window.Monte Carlo simulations were also used to determine the macroscopic optical properties of La_(2)O_(3)and HfO_(2)coatings.Based on the simulated results,we identified that the particle size and particle volume fraction play a dominant role in the optical properties.Our findings underscore the potential of La_(2)O_(3)and HfO_(2)nanocomposites for environment-friendly cooling and offer a new approach for high-throughput screening of optical materials through multiscale simulations.
基金financially supported by the National Key R&D Program of China (Nos.2020YFB1505500 and 2020YFB1505503)。
文摘The perfluorosulfonic acid(PFSA) membrane doped with two-dimensional conductive filler Ti_(3)C_(2)T_(x) is a fuel cell proton exchange membrane with high application potential. Experimental studies showed that the proton conductivity of Nafion/Ti_(3)C_(2)T_(x) composite membrane is improved significantly compared with that in pure Nafion. However, the microscopic mechanism of doping on the enhancement of membrane performance is remain unclear now. In this work, molecular dynamics simulation was used to investigate the microscopic morphology and proton transport behaviors of Nafion/Ti_(3)C_(2)T_(x) composite membrane at the molecular level. The results shown that there were significant differences about the diffusion kinetics of water molecules and hydroxium ions in Nafion/Ti_(3)C_(2)T_(x) at low and high hydration levels in the nanoscale region.With the increase of water content, Ti_(3)C_(2)T_(x) in membrane was gradually surrounded by ambient water molecules to form a hydration layer, and forming a relatively continuous proton transport channel between Nafion polymer and Ti_(3)C_(2)T_(x) monomer. The continuous proton transport channel could increase the number of binding sites of proton and thus achieving high proton conductivity and high mobility of water molecules at higher hydration level. The current work can provide a theoretical guidance for designing new type of Nafion composite membranes.
文摘Upon the conservation of mass, momentum and energy, volume fraction and surface penetrative rate were employed to modify the conservative equations to simulate the effect of blockages on fluid flows and heat transfer. These equations were solved numerically with the finite differential method and the primitive variable approach. This method uses staggered grid and pressure correction schemes. A computer code FASTOR3D integrated the aforementioned algorithm. The preliminary results have been compared with conventional benchmark solutions. With auxiliary software DV, the numerical results were visualized in colorful images to demonstrate the variation of flow patterns and temperature profiles during the transient process. The results of the simulation code for the fluid flows and heat transfer in the sodium pool of a fast breeder reactor are acceptable.
基金Project (51101022) supported by the National Natural Science Foundation of ChinaProject (CHD2012JC096) supported by the Fundamental Research Funds for the Central Universities,China
文摘The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature （Tc） is close to the glass transition point in structure （TgStr）.
基金Project(2011ZX04014-051)supported by the Key Scientific and Technical Project of ChinaProjects(51375306,50905110)supported by the National Natural Science Foundation of China
文摘The three-dimensional （3D） processing maps considering strain based on the two-dimensional （2D） processing maps proposed by PRASAD can describe the distribution of the efficiency of power dissipation and flow instability regions at various temperatures, strain rates and strains, which exhibit intrinsic workability related to material itself. Finite element （FE） simulation can obtain the distribution of strain, strain rate, temperature and die filling status, which indicates state-of-stress （SOS） workability decided by die shape and different processing conditions. On the basis of this, a new material driven analysis method for hot deformation was put forward by the combination of FE simulation with 3D processing maps, which can demonstrate material workability of the entire hot deformation process including SOS workability and intrinsic workability. The hot forging process for hard-to-work metal magnesium alloy was studied, and the 3D thermomechanical FE simulation including 3D processing maps of complex hot forging spur bevel gear was first conducted. The hot forging experiments were carried out. The results show that the new method is reasonable and suitable to determine the aoorooriate nrocess narameters.
文摘An SOI MOSFET with FINFET structure is simulated using a 3 D simulator. I V characteristics and sub threshold characteristics,as well as the short channel effect(SCE) are carefully investigated.SCE can be well controlled by reducing fin height.Good performance can be achieved with thin height,so fin height is considered as a key parameter in device design.Simulation results show that FINFETs present performance superior to conventional single gate devices.
文摘随着5G移动视频应用加速落地以及国内视频流需求的迅速激增,迫切需要一种新的数据传输协议来提供可靠的安全性,以保障上层应用处理更多的接入连接以及满足更低的延时需求.多路径QUIC协议(Multipath Quick UDP Internet Connection,MPQUIC)具有拟合多条链路带宽资源、强大连接的容错能力和高可靠性等优点,被认为将在未来移动互联网数据传输中发挥重要的作用.然而,目前国内外研究人员对于MPQUIC协议的相关研究正处于初步阶段,该协议还没有一个普适性的、开源的仿真平台.因此,借助全球网络仿真领域应用最广的NS-3网络模拟器搭建了MPQUIC仿真平台(ns3-mpquic),为相关学者提供研究MPQUIC协议的开源、免费、普适的基础平台,为全球专家学者对MPQUIC协议的模拟部署和优化提供助力.
文摘Single event transient of a real p-n junction in a 0.18μm bulk process is studied by 3D TCAD simulation. The impact of voltage, temperature, substrate concentration, and LET on SET is studied. Our simulation results demonstrate that biases in the range 1.62 to 1.98V influence DSET current shape greatly and total collected charge weakly. Peak current and charge collection within 2ns decreases as temperature increases,and temperature has a stronger influence on SET currents than on total charge. Typical variation of substrate concentration in modern VDSM processes has a negligible effect on SEEs. Both peak current and total collection charge increases as LET increases.
文摘采用计算化学模拟方法,在MP2/6-311++g(d,p)、B3LYP/6-311++g(d,p)、PBE0/6-311++g(d,p)、wb97xd/6-311++g(d,p)、MP2/aug-cc-PVTZ、B3LYP/aug-cc-PVTZ、PBE0/aug-cc-PVTZ、wb97xd/aug-cc-PVTZ水平上考察了PH_(3)、PF_(3)及PCl_(3)的原子偶极矩校正的Hirsh⁃feld布局电荷(atomic dipole moment corrected Hirshfeld population,ADCH电荷)、分子中的原子理论电荷(atoms in molecules,AIM电荷),自然电子构型、电子定域函数填充图和分子中的原子理论平面临界点图。模拟结果表明,在PH_(3)分子中,磷上为负电荷,氢上为正电荷;而PF_(3)、PCl_(3)分子中磷上为正电荷,氟或氯上为负电荷。PF_(3),PCl_(3)偶极矩变化不大的原因是尽管PF_(3)中正负电性高,但其键长短,而PCl_(3)中正负电性低,但其键长更长。并且可以通过改变和磷键合的不同原子,改变磷原子上的电荷、孤对电子所在的杂化轨道类型、轨道的电子布居数,从而调控含磷化合物的配位性。
基金Item Sponsored by National Basic Research Program(973Program)of China(2011CB012903)National Natural Science Foundation of China(51075270)
文摘Based on hot compression tests by a Gleeble-1500D thermo-mechanical simulator, the flow stress model and microstructure evolution model for SA508-3 steel were established through the classical theories on work hardening and softening. The developed models were integrated into 3D thermal-mechanical coupled rigid plastic finite element software DEFORM3D. The inhomogeneous hot deformation （IHD） experiments of SA508 3 steel were designed and carried out. Meanwhile, numerical simulation was implemented to investigate the effect of temperature, strain and strain rate on microstructure during IHD process through measuring grain sizes at given positions. The simulated grain sizes were basically in agreement with the experimental ones. The results of experiment and simulation demonstrated that temperature is the main factor for the initiation of dynamic recrystallization （DRX）, and higher temperature means lower critical strain so that DRX can be facilitated to obtain uniform fine microstructure.
基金supported by Jiangsu Provincial Key Research and Development Program (No.BE20210132)the Zhejiang Provincial Key Research and Development Program (No.2021C01040)the team of S-SET
文摘Low-Earth-Orbit satellite constellation networks(LEO-SCN)can provide low-cost,largescale,flexible coverage wireless communication services.High dynamics and large topological sizes characterize LEO-SCN.Protocol development and application testing of LEO-SCN are challenging to carry out in a natural environment.Simulation platforms are a more effective means of technology demonstration.Currently available simulators have a single function and limited simulation scale.There needs to be a simulator for full-featured simulation.In this paper,we apply the parallel discrete-event simulation technique to the simulation of LEO-SCN to support large-scale complex system simulation at the packet level.To solve the problem that single-process programs cannot cope with complex simulations containing numerous entities,we propose a parallel mechanism and algorithms LP-NM and LP-YAWNS for synchronization.In the experiment,we use ns-3 to verify the acceleration ratio and efficiency of the above algorithms.The results show that our proposed mechanism can provide parallel simulation engine support for the LEO-SCN.
