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Multi-scale Numerical Simulations for Crack Propagation in NiTi Shape Memory Alloys by Molecular Dynamics-based Cohesive Zone Model
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作者 LI Yunfei WANG Yuancen HE Qinshu 《Journal of Wuhan University of Technology(Materials Science)》 2025年第2期599-609,共11页
The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope ... The multi-scale modeling combined with the cohesive zone model(CZM)and the molecular dynamics(MD)method were preformed to simulate the crack propagation in NiTi shape memory alloys(SMAs).The metallographic microscope and image processing technology were employed to achieve a quantitative grain size distribution of NiTi alloys so as to provide experimental data for molecular dynamics modeling at the atomic scale.Considering the size effect of molecular dynamics model on material properties,a reasonable modeling size was provided by taking into account three characteristic dimensions from the perspective of macro,meso,and micro scales according to the Buckinghamπtheorem.Then,the corresponding MD simulation on deformation and fracture behavior was investigated to derive a parameterized traction-separation(T-S)law,and then it was embedded into cohesive elements of finite element software.Thus,the crack propagation behavior in NiTi alloys was reproduced by the finite element method(FEM).The experimental results show that the predicted initiation fracture toughness is in good agreement with experimental data.In addition,it is found that the dynamics initiation fracture toughness increases with decreasing grain size and increasing loading velocity. 展开更多
关键词 NiTi shape memory alloys multi-scale numerical simulation crack propagation the cohesive zone model molecular dynamics simulation
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Variational Quantum Simulation of Dynamical Quantum Phase Transition in Markovian Open Quantum Systems
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作者 Yukai Guo Jinjian Yu Xing Gao 《Chinese Journal of Chemical Physics》 2025年第4期391-400,I0104,共11页
We investigate dynamical quantum phase transitions(DQPTs)in Marko-vian open quantum systems using a variational quantum simulation(VQS)algorithm based on quantum state diffusion(QSD).This approach reformulates the Lin... We investigate dynamical quantum phase transitions(DQPTs)in Marko-vian open quantum systems using a variational quantum simulation(VQS)algorithm based on quantum state diffusion(QSD).This approach reformulates the Lindblad master equation as an ensemble of pure-state trajectories,enabling efficient simula-tion of dissipative quantum dynam-ics with effectively reduced quantum resources.Focusing on the one-di-mensional transverse-field Ising mod-el(TFIM),we simulate quench dynamics under both local and global Lindblad dissipation.The QSD-VQS algorithm accurately captures the nonanalytic cusps in the Loschmidt rate function,and reveals their modulation by dissipation strength and system size.Notably,DQPTs are gradually suppressed under strong local dissipation,while they persist under strong global dissipation due to collective environmental effects.Benchmarking against exact Lindblad solutions confirms the high accuracy and scalability of our method. 展开更多
关键词 Variational quantum simulation dynamical quantum phase transition Quan-tum state diffusion Transverse-field Ising model
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A prediction model for guiding tumor microwave ablation surgery based on simulation
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作者 Lu Qian Yamin Yang +4 位作者 Pan Chen Jia Liu Xiaofei Jin Zhiyu Qian Chunxiao Chen 《Journal of Innovative Optical Health Sciences》 2025年第1期85-99,共15页
Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which i... Purpose:The major limitation of tumor microwave ablation(MWA)operation is the lack of predictability of the ablation zone before surgery.Operators rely on their individual experience to select a treatment plan,which is prone to either inadequate or excessive ablation.This paper aims to establish an ablation prediction model that guides MWA tumor surgical planning.Methods:An MWA process was first simulated by incorporating electromagnetic radiation equations,thermal equations,and optimized biological tissue parameters(dynamic dielectric and thermophysical parameters).The temperature distributions(the short/long diameters,and the total volume of the ablation zone)were then generated and verified by 60 cases ex vivo porcine liver experiments.Subsequently,a series of data were obtained from the simulated temperature distributions and to further fit the novel ablation coagulated area prediction model(ACAPM),thus rendering the ablation-dose table for the guiding surgical plan.The MWA clinical patient data and clinical devices suggested data were used to validate the accuracy and practicability of the established predicted model.Results:The 60 cases ex vivo porcine liver experiments demonstrated the accuracy of the simulated temperature distributions.Compared to traditional simulation methods,our approach reduces the long-diameter error of the ablation zone from 1.1 cm to 0.29 cm,achieving a 74%reduction in error.Further,the clinical data including the patients'operation results and devices provided values were consistent well with our predicated data,indicating the great potential of ACAPM to assist preoperative planning. 展开更多
关键词 Microwave ablation ablation simulation microwave prediction model dynamic tissue parameter
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A conductivity model for hydrogen based on ab initio simulations
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作者 Uwe Kleinschmidt Ronald Redmer 《Matter and Radiation at Extremes》 2025年第4期58-69,共12页
We calculate the electrical and thermal conductivity of hydrogen for a wide range of densities and temperatures by using molecular dynamics simulations informed by density functional theory.On the basis of the corresp... We calculate the electrical and thermal conductivity of hydrogen for a wide range of densities and temperatures by using molecular dynamics simulations informed by density functional theory.On the basis of the corresponding extended ab initio data set,we construct interpolation formulas covering the range from low-density,high-temperature to high-density,low-temperature plasmas.Our conductivity model repro-duces the well-known limits of the Spitzer and Ziman theory.We compare with available experimental data andfind very good agreement.The new conductivity model can be applied,for example,in dynamo simulations for magneticfield generation in gas giant planets,brown dwarfs,and stellar envelopes. 展开更多
关键词 molecular dynamics simulations electrical thermal conductivity CONDUCTIVITY density functional theoryon interpolation formulas conductivity model extended ab initio data setwe spitzer ziman theorywe
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Local structure of calcium silicate melts from classical molecular dynamics simulation and a newly constructed thermodynamic model 被引量:2
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作者 吴永全 戴辰 蒋国昌 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2014年第5期1488-1499,共12页
The distributions of local structural units of calcium silicate melts were quantified by means of classical molecular dynamics simulation and a newly constructed structural thermodynamic model. The distribution of fiv... The distributions of local structural units of calcium silicate melts were quantified by means of classical molecular dynamics simulation and a newly constructed structural thermodynamic model. The distribution of five kinds of Si-O tetrahedra Qi from these two methods was compared with each other and also with the experimental Raman spectra, an excellent agreement was achieved. These not only displayed the panorama distribution of microstructural units in the whole composition range, but also proved that the thermodynamic model is suitable for the utilization as the subsequent application model of spectral experiments for the thermodynamic calculation. Meanwhile, the five refined regions mastered by different disproportionating reactions were obtained. Finally, the distributions of two kinds of connections between Qi were obtained, denoted as Qi-Ca-Qj and Qi-[Ob]-Qj, from the thermodynamic model, and a theoretical verification was given that the dominant connections for any composition are equivalent connections. 展开更多
关键词 distribution of microstructural units molecular dynamic simulation strucatral thermodynamic model calcium silicate melts
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Multi-field dynamic modeling and numerical simulation of aluminum alloy resistance spot welding 被引量:1
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作者 陶建峰 贡亮 +1 位作者 刘成良 赵阳 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第12期3066-3072,共7页
In order to explore the influence of welding parameters and to investigate the Al alloy (AA) nugget formation process, a comprehensive model involving electrical-thermal-mechanical and metallurgical analysis was estab... In order to explore the influence of welding parameters and to investigate the Al alloy (AA) nugget formation process, a comprehensive model involving electrical-thermal-mechanical and metallurgical analysis was established to numerically display the resistance spot welding (RSW) process within multiple fields and understand the AA-RSW physics. A multi-disciplinary finite element method (FEM) framework and a empirical sub-model were built to analyze the affecting factors on weld nugget and the underlying nature of welding physics with dynamic simulation procedure. Specifically, a counter-intuitive phenomenon of the resistance time-variation caused by the transient inverse virtual variation (TIVV) effect was highlighted and analyzed on the basis of welding current and temperature distribution simulation. The empirical model describing the TIVV phenomenon was used for modifying the dynamic resistance simulation during the AA spot welding process. The numerical and experimental results show that the proposed multi-field FEM model agrees with the measured AA welding feature, and the modified dynamic resistance model captures the physics of nugget growth and the electrical-thermal behavior under varying welding current and fluctuating heat input. 展开更多
关键词 resistance spot welding aluminum alloy multi-field modeling simulation finite element method dynamic resistance transient inverse virtual variation effect
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Refinement of Adaptive Dynamical Simulation of Quantum Mechanical Double Slit Interference Phenomenon
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作者 Tadashi Ando Andrei Khrennikov Ichiro Yamato 《Journal of Modern Physics》 2024年第3期239-249,共11页
We applied adaptive dynamics to double slit interference phenomenon using particle model and obtained partial successful results in our previous report. The patterns qualitatively corresponded well with experiments. S... We applied adaptive dynamics to double slit interference phenomenon using particle model and obtained partial successful results in our previous report. The patterns qualitatively corresponded well with experiments. Several properties such as concave single slit pattern and large influence of slight displacement of the emission position were different from the experimental results. In this study we tried other slit conditions and obtained consistent patterns with experiments. We do not claim that the adaptive dynamics is the principle of quantum mechanics, but the present results support the probability of adaptive dynamics as the candidate of the basis of quantum mechanics. We discuss the advantages of the adaptive dynamical view for foundations of quantum mechanics. 展开更多
关键词 Double Slit Interference Adaptive dynamics Quantum Mechanics Particle model simulation
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Simulation of Pedestrian Evacuation Behavior Considering Dynamic Information Guidance in a Hub
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作者 ZHOU Xuemei WEI Guohui +1 位作者 GUAN Zhen XI Jiaojiao 《Journal of Shanghai Jiaotong university(Science)》 2024年第6期1091-1102,共12页
Simulation of pedestrians’behavior in the hub can help decision-makers to formulate better evacuation strategies.With this aim,this study develops an improved cellular automata model considering pedestrian’s mass-fo... Simulation of pedestrians’behavior in the hub can help decision-makers to formulate better evacuation strategies.With this aim,this study develops an improved cellular automata model considering pedestrian’s mass-following psychology and competitive awareness,and based on this model,pedestrian’s evacuation process from the channel of the hub with two exits is simulated.Moreover,dynamic guidance information,e.g.,the realtime congestion situation of the evacuation routes,plays an important role during pedestrian evacuation processes in a hub,as the evaluation routes can be adjusted based on this information.That is,the congestion situation during the evaluation can be improved.Thus,dynamic signs are incorporated into the proposed model to study the influence of dynamic guidance information on pedestrian evacuation behavior.In simulation experiments,the influence of two parameters,namely the proportion of pedestrians unfamiliar with the hub and update interval of dynamic signs,on pedestrian evacuation behavior is studied.Results show that dynamic guidance information can improve the efficiency of pedestrian evacuation.In particular,the higher the proportion of pedestrians unfamiliar with the hub is,the more obvious the effect of dynamic guidance information is.Besides,different proportions of pedestrians unfamiliar with the hub lead to different update intervals of dynamic signs.Finally,the results of this study can provide some implications to the practical hub operation and evacuation,e.g.,to standardize the order of evacuation routes and improve the information service level in the hub. 展开更多
关键词 cellular automata model dynamic guidance information pedestrian’s evacuation behavior pedestrian simulation
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A New Method for Modelling and Simulation of the Dynamic Behaviour of the Wheel-rail contact 被引量:7
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作者 Arthur Anyakwo Crinela Pislaru Andrew Ball 《International Journal of Automation and computing》 EI 2012年第3期237-247,共11页
This paper presents a new method for modelling and simulation of the dynamic behaviour of the wheel-rail contact. The proposed dynamic wheel-rail contact model comprises wheel-rail contact geometry, normal contact pro... This paper presents a new method for modelling and simulation of the dynamic behaviour of the wheel-rail contact. The proposed dynamic wheel-rail contact model comprises wheel-rail contact geometry, normal contact problem, tangential contact problem and wheelset dynamic behaviour on the track. This two-degree of freedom model takes into account the lateral displacement of the wheelset and the yaw angle. Single wheel tread rail contact is considered for all simulations and Kalker’s linear theory and heuristic non-linear creep models are employed. The second order differential equations are reduced to first order and the forward velocity of the wheelset is increased until the wheelset critical velocity is reached. This approach does not require solving mathematical equations in order to estimate the critical velocity of the dynamic wheel-rail contact model. The mathematical model is implemented in Matlab using numerical differentiation method. The simulated results compare well with the estimated results based on classical theory related to the dynamic behaviour of rail-wheel contact so the model is validated. 展开更多
关键词 modelLING simulation condition monitoring dynamic behaviour wheel-rail contact
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SCENARIOS SIMULATION OF COUPLING SYSTEM BETWEEN URBANIZATION AND ECO-ENVIRONMENT IN JIANGSU PROVINCE BASED ON SYSTEM DYNAMICS MODEL 被引量:7
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作者 LIU Yao-bin LI Ren-dong LI Chun-hua 《Chinese Geographical Science》 SCIE CSCD 2005年第3期219-226,共8页
By means of ISM (Interpretative Structural Modeling) and SD (System Dynamics) methods, this paper made a system dynamics model of urbanization and eco-environment coupling in Jiangsu Province according to the implicat... By means of ISM (Interpretative Structural Modeling) and SD (System Dynamics) methods, this paper made a system dynamics model of urbanization and eco-environment coupling in Jiangsu Province according to the implication and PSR (Pressure State Response) framework of urbanization and eco-environment coupling. Moreover, five typical scenarios during 2000-2015 have been simulated and analyzed based on the time serial statistical data during 1990-2003 in Jiangsu, which indicates: firstly, there are significant differences between the results and the scenarios, and the five coupling models all have comparative advantages and drawbacks; secondly, in terms of the characteristics and regional development disparities of Jiangsu and the general rule of world urbanization process, this paper reveals that only when either population urbanization model or social urbanization model to be correspondingly adopted, the sustainable development among population, economy, urbanization and eco-environment can be realized. 展开更多
关键词 URBANIZATION ECO-ENVIRONMENT system dynamics model simulation Jiangsu Province
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DYNAMICS MODEL AND SIMULATION OF FLAT VALVE SYSTEM OF INTERNAL COMBUSTION WATER PUMP 被引量:39
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作者 Zhang Hongxin Zhang Tiezhu +2 位作者 Wang Yushun Zhao Hong Huo Wei 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2005年第3期411-414,共4页
The dynamics differential equations are constructed, and the initial conditions are also given. Simulation shows the following conclusions: The water pressure in cylinder has great instantaneous pulsation and phase s... The dynamics differential equations are constructed, and the initial conditions are also given. Simulation shows the following conclusions: The water pressure in cylinder has great instantaneous pulsation and phase step when outlet valve or inlet valve opens, but is more gently in other time; The volume efficiency is influenced by the output pressure slightly, and decreases as the working rotational speed increases; When the inherent frequency of the valves is integer multiple of the working frequency, the volume efficiency of system will decrease evidently. 展开更多
关键词 Check valve simulation dynamics model Internal combustion water pump(ICWP)
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Dynamic Finite Element Modeling and Simulation of Soft Robots 被引量:6
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作者 Liang Ding Lizhou Niu +4 位作者 Yang Su Huaiguang Yang Guangjun Liu Haibo Gao Zongquan Deng 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2022年第2期45-55,共11页
Soft robots have become important members of the robot community with many potential applications owing to their unique flexibility and security embedded at the material level.An increasing number of researchers are i... Soft robots have become important members of the robot community with many potential applications owing to their unique flexibility and security embedded at the material level.An increasing number of researchers are interested in their designing,manufacturing,modeling,and control.However,the dynamic simulation of soft robots is difficult owing to their infinite degrees of freedom and nonlinear characteristics that are associated with soft materials and flexible geometric structures.In this study,a novel multi-flexible body dynamic modeling and simulation technique is introduced for soft robots.Various actuators for soft robots are modeled in a virtual environment,including soft cable-driven,spring actuation,and pneumatic driving.A pneumatic driving simulation was demonstrated by the bending modules with different materials.A cable-driven soft robot arm prototype and a cylindrical soft module actuated by shape memory alley springs inspired by an octopus were manufactured and used to validate the simulation model,and the experimental results demonstrated adequate accuracy.The proposed technique can be widely applied for the modeling and dynamic simulation of other soft robots,including hybrid actuated robots and rigid-flexible coupling robots.This study also provides a fundamental framework for simulating soft mobile robots and soft manipulators in contact with the environment. 展开更多
关键词 Soft robot Finite-element modeling dynamic simulation
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An Integrated Dynamic Model of Ocean Mining System and Fast Simulation of Its Longitudinal Reciprocating Motion 被引量:3
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作者 戴瑜 刘少军 《China Ocean Engineering》 SCIE EI CSCD 2013年第2期231-244,共14页
An integrated dynamic model of China's deep ocean mining system is developed and the fast simulation analysis of its longitudinal reciprocating motion operation processes is achieved. The seafloor tracked miner is bu... An integrated dynamic model of China's deep ocean mining system is developed and the fast simulation analysis of its longitudinal reciprocating motion operation processes is achieved. The seafloor tracked miner is built as a three-dimensional single-body model with six-degree-of-freedom. The track-terrain interaction is modeled by partitioning the track-terrain interface into a certain number of mesh elements with three mutually perpendicular forces, including the normal force, the longitudinal shear force and the lateral shear force, acting on the center point of each mesh element. The hydrodynamic force of the miner is considered and applied. By considering the operational safety and collection efficiency, two new mining paths for the miner on the seafloor are proposed, which can be simulated with the established single-body dynamic model of the miner. The pipeline subsystem is built as a three-dimensional multi-body discrete element model, which is divided into rigid elements linked by flexible connectors. The flexible connector without mass is represented by six spring-damper elements. The external hydrodynamic forces of the ocean current from the longitudinal and lateral directions are both considered and modeled based on the Morison formula and applied to the mass center of each corresponding discrete rigid element. The mining ship is simplified and represented by a general kinematic point, whose heave motion induced by the ocean waves and the longitudinal and lateral towing motions are considered and applied. By integrating the single-body dynamic model of the miner and the multi-body discrete element dynamic model of the pipeline, and defining the kinematic equations of the mining ship, the integrated dynamic model of the total deep ocean mining system is formed. The longitudinal reciprocating motion operation modes of the total mining system, which combine the active straight-line and turning motions of the miner and the ship, and the passive towed motions of the pipeline, are proposed and simulated with the developed 3D dynamic model. Some critical simulation results are obtained and analyzed, such as the motion trajectories of key subsystems, the velocities of the buoyancy modules and the interaction forces between subsystems, which in a way can provide important theoretical basis and useful technical reference for the practical deep ocean mining system analysis, operation and control. 展开更多
关键词 deep ocean mining system single-body model track-terrain interaction model discrete element model longitudinal reciprocating motion operation mode dynamic simulation analysis
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Dynamics modeling and simulation of mechanism with joint clearance 被引量:3
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作者 白争锋 田浩 赵阳 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2010年第5期706-710,共5页
The existence of clearance in the joints of mechanisms system is inevitable.The movements of the real mechanism are deflection from the ideal mechanism due to the clearances and the motion accuracy is decreased.The ef... The existence of clearance in the joints of mechanisms system is inevitable.The movements of the real mechanism are deflection from the ideal mechanism due to the clearances and the motion accuracy is decreased.The effects of the hinge clearance on the crank and rocker mechanism system are studied.The system dynamics equation with clearance is presented.The contact dynamics model is established using the nonlinear equivalent spring-damp model and the friction effect is considered by using Coulomb friction model.Then the models are incorporated into ADAMS,and based on the model,large numbers numeric simulations are made.The regularity of contact forces in clearance are studied in detail.And the effects of clearance size,clearance friction on the mechanism dynamics characteristic are analyzed.The simulation results can predict the effects of clearance on the mechanism dynamics characteristic preferably. 展开更多
关键词 CLEARANCE contact model dynamics modeling and simulation dynamics characteristic
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Interrelations Between Socio-economic Development and Environmental Quality:a Simulation Integrating System Dynamics Models with GIS 被引量:4
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作者 YU Jie BIAN Fuling +1 位作者 PETERSON Jim LI Pingxiang 《Geo-Spatial Information Science》 2005年第3期176-182,共7页
System dynamics (SD) theory has long been deployed in modeling complex non-linear interrelationships but, so far it has not been common to do the kind of modeling in support of bringing environmental sustainability po... System dynamics (SD) theory has long been deployed in modeling complex non-linear interrelationships but, so far it has not been common to do the kind of modeling in support of bringing environmental sustainability policies to practice. This is largely because the challenge of including spatial data has not yet been well met. Potential for adoption of SD and GIS methods in combination is exemplified with the results of a decision-support exercise designed for simulation and prediction of the dynamic inter-relationships between socio-economic development and environmental quality for the "Wen, Pi, Du" county in Sichuan province, southwestern China. 展开更多
关键词 system dynamics GIS dynamic simulation eco-economic system SD model analytic hierarchy process
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Vehicle Dynamics Modeling and Simulation for ACC 被引量:3
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作者 李径亮 刘昭度 李志远 《Journal of Beijing Institute of Technology》 EI CAS 2010年第1期53-57,共5页
A 7 degree-of-freedom (DOF) 4 wheels vehicle dynamics model based on Matlab-Simulink is established,and 7 DOF vehicle dynamics equations in the form of nonlinear state-space standards are given.The characters of the... A 7 degree-of-freedom (DOF) 4 wheels vehicle dynamics model based on Matlab-Simulink is established,and 7 DOF vehicle dynamics equations in the form of nonlinear state-space standards are given.The characters of the electronic throttle and the active braking system have been analyzed.And the electronic throttle model and the active braking system model are built according to the test results respectively.Off-line simulation results indicate that the model is suitable for the vehicle adaptive cruise control system,and both of the electronic throttle and the active braking system work in a reasonable way.An adaptive cruise control (ACC) example illustrates that the model has a good performance in cruise and distance keeping. 展开更多
关键词 vehicle dynamics modelING simulation adaptive cruise control (ACC)
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Dynamic model building and simulation for mechanical main body of lunar lander 被引量:6
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作者 王少纯 邓宗全 +1 位作者 胡明 高海波 《Journal of Central South University of Technology》 2005年第3期329-334,共6页
Focused on the dynamics problems of a lunar lander during landing process, the whole process was analysed in detail, and the linear elastic model of the moon soil was established by means of experiments-analogic metho... Focused on the dynamics problems of a lunar lander during landing process, the whole process was analysed in detail, and the linear elastic model of the moon soil was established by means of experiments-analogic method. Combining the way of elastic impact with the way of velocity replacement, the dynamics model of damping free vibration dynamics model with 3-degree of freedom(DOF) for lunar lander is obtained according to the vibration mechanics elementary theory. Based on Lagrange equations and the energy principle, the damping free vibration differential equations for the lunar lander with 3-DOF are derived and the equations are solved in simulation ways by means of ADAMS software. The conclusions obtained can be used for the design and manufacture of lunar lander. 展开更多
关键词 lunar lander dynamics model simulation
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Process Modeling and Dynamic Simulation for EAST Helium Refrigerator 被引量:2
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作者 陆小飞 傅鹏 +2 位作者 庄明 邱立龙 胡良兵 《Plasma Science and Technology》 SCIE EI CAS CSCD 2016年第6期693-698,共6页
In this paper,the process modeling and dynamic simulation for the EAST helium refrigerator has been completed.The cryogenic process model is described and the main components are customized in detail.The process model... In this paper,the process modeling and dynamic simulation for the EAST helium refrigerator has been completed.The cryogenic process model is described and the main components are customized in detail.The process model is controlled by the PLC simulator,and the realtime communication between the process model and the controllers is achieved by a customized interface.Validation of the process model has been confirmed based on EAST experimental data during the cool down process of 300-80 K.Simulation results indicate that this process simulator is able to reproduce dynamic behaviors of the EAST helium refrigerator very well for the operation of long pulsed plasma discharge.The cryogenic process simulator based on control architecture is available for operation optimization and control design of EAST cryogenic systems to cope with the long pulsed heat loads in the future. 展开更多
关键词 EAST cryogenic system helium refrigerator process modeling dynamic simulation
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Dynamic Modeling and Simulation of a Commercial Naphtha Catalytic Reforming Process 被引量:3
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作者 胡永有 iit.edu +3 位作者 徐巍华 侯卫锋 苏宏业 褚健 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2005年第1期74-80,共7页
A first principles-based dynamic model for a continuous catalyst regeneration (CCR) platforming process, the UOP commercial naphtha catalytic reforming process, is developed in this paper. The lumping details of the n... A first principles-based dynamic model for a continuous catalyst regeneration (CCR) platforming process, the UOP commercial naphtha catalytic reforming process, is developed in this paper. The lumping details of the naphtha feed and reaction scheme of the reaction model are given. The process model is composed of the reforming reaction model with catalyst deactivation, the furnace model and the separator model, which is capable of capturing the major dynamics that occurs in this process system. Dynamic simulations are performed based on Gear numerical algorithm and method of lines (MOL), a numerical technique dealing with partial differential equations (PDEs). The results of simulation are also presented. Dynamic responses caused by disturbances in the process system can be correctly predicted through simulations. 展开更多
关键词 catalytic reforming dynamic modeling simulation method of lines process control
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One-dimensional Dynamic Modeling and Simulation of a Planar Direct Internal Reforming Solid Oxide Fuel Cell 被引量:3
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作者 康英伟 李俊 +3 位作者 曹广益 屠恒勇 李箭 杨杰 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2009年第2期304-317,共14页
This article aims to investigate the transient behavior of a planar direct internal reforming solid oxide fuel cell (DIR-SOFC) comprehensively. A one-dimensional dynamic model of a planar D1R-SOFC is first developed... This article aims to investigate the transient behavior of a planar direct internal reforming solid oxide fuel cell (DIR-SOFC) comprehensively. A one-dimensional dynamic model of a planar D1R-SOFC is first developed based on mass and energy balances, and electrochemical principles. Further, a solution strategy is presented to solve the model, and the International Energy Agency (IEA) benchmark test is used to validate the model. Then, through model-based simulations, the steady-state performance of a co-flow planar DIR-SOFC under specified initial operating conditions and its dynamic response to introduced operating parameter disturbances are studied. The dynamic responses of important SOFC variables, such as cell temperature, current density, and cell voltage are all investigated when the SOFC is subjected to the step-changes in various operating parameters including both the load current and the inlet fuel and air flow rates. The results indicate that the rapid dynamics of the current density and the cell voltage are mainly influenced by the gas composition, particularly the H2 molar fraction in anode gas channels, while their slow dynamics are both dominated by the SOLID (including the PEN and interconnects) temperature. As the load current increases, the SOLID temperature and the maximum SOLID temperature gradient both increase, and thereby, the cell breakdown is apt to occur because of excessive thermal stresses. Changing the inlet fuel flow rate might lead to the change in the anode gas composition and the consequent change in the current density distribution and cell voltage. The inlet air flow rate has a great impact on the cell temperature distribution along the cell, and thus, is a suitable manipulated variable to control the cell temperature. 展开更多
关键词 solid oxide fuel cell direct internal reforming PLANAR dynamic model simulation
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