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Research on the Dynamic Simulation System of Maize Growth
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作者 朱春娆 陈桂芬 苏恒强 《Agricultural Science & Technology》 CAS 2010年第11期202-204,共3页
Dynamic simulation system of maize growth is developed by the physiological and ecological model,morphological structure model,computer science and virtual reality technology,to improve the level of precise operation ... Dynamic simulation system of maize growth is developed by the physiological and ecological model,morphological structure model,computer science and virtual reality technology,to improve the level of precise operation of maize production.The computer graphics algorithms,virtual reality technology,animation design and information integration technology are applied to maize production by this system.establishment of dynamic simulation system of maize growth is conducive to raise level of precise operation in maize production.The system also can assist the relevant production research and testing,to reduce cost and improve efficiency. 展开更多
关键词 Maize growth Virtual reality technology dynamic analog simulation Computer graphics
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Matlab/Simulink Based Dynamic Simulation System for Distance Protection 被引量:2
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作者 许明 高厚磊 闫超 《Transactions of Tianjin University》 EI CAS 2008年第2期112-117,共6页
To observe the inner operating process of distance protection,a Matlab/Simulink based dynamic simulation system for microprocessor-based distance protection is designed in this paper.As a modularized design,the simula... To observe the inner operating process of distance protection,a Matlab/Simulink based dynamic simulation system for microprocessor-based distance protection is designed in this paper.As a modularized design,the simulation system is composed of several modules such as fault transient calculation,startup,Fourier algorithm,phase selection,impedance computing and impedance comparison etc.Some typical simulation cases,which focus on the main factors affecting distance relay's operation,have been simulated with the system.Simulation results show that the system is able to demonstrate the dynamic behaviors of distance protection under different operating conditions. 展开更多
关键词 distance protection dynamic simulation Matlab/Simulink impedance trace
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A Hybrid Simulation-Experimental Method for Deriving Equivalent Dynamic Parameters of O-Ring Support Systems
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作者 LIU Yi YE He +3 位作者 ZHANG Lingfeng LI Shujia CHEN Ge WANG Yongxing 《Journal of Donghua University(English Edition)》 2025年第4期425-434,共10页
The high-speed winding spindle employs a flexible support system incorporating rubber O-rings.By precisely configuring the structural parameters and the number of the O-rings,the spindle can stably surpass its critica... The high-speed winding spindle employs a flexible support system incorporating rubber O-rings.By precisely configuring the structural parameters and the number of the O-rings,the spindle can stably surpass its critical speed points and maintain operational stability across the entire working speed range.However,the support stiffness and damping of rubber O-rings exhibit significant nonlinear frequency dependence.Conventional experimental methods for deriving equivalent stiffness and damping,based on the principle of the forced non-resonance method,require fabricating custom setups for each O-ring specification and conducting vibration tests at varying frequencies,resulting in low efficiency and high costs.This study proposes a hybrid simulation-experimental method for dynamic parameter identification.Firstly,the frequency-dependent dynamic parameters of a specific O-ring support system are experimentally obtained.Subsequently,a corresponding parametric finite element model is established to simulate and solve the equivalent elastic modulus and equivalent stiffness-damping coefficient of this O-ring support system.Ultimately,after iterative simulation,the simulated and experimental results achieve a 99.7%agreement.The parametric finite element model developed herein can directly simulate and inversely estimate frequency-dependent dynamic parameters for O-rings of different specifications but identical elastic modulus. 展开更多
关键词 O-RING equivalent dynamic parameter forced non-resonance method inverse parameter estimation dynamic simulation
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Hybrid CO_(2) thermal system for post-steam heavy oil recovery:Insights from microscopic visualization experiments and molecular dynamics simulations
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作者 Ning Lu Xiaohu Dong +4 位作者 Haitao Wang Huiqing Liu Zhangxin Chen Yu Li Deshang Zeng 《Energy Geoscience》 2025年第2期233-248,共16页
The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments... The hybrid CO_(2) thermal technique has achieved considerable success globally in extracting residual heavy oil from reserves following a long-term steam stimulation process.Using microscopic visualization experiments and molecular dynamics(MD)simulations,this study investigates the microscopic enhanced oil recovery(EOR)mechanisms underlying residual oil removal using hybrid CO_(2) thermal systems.Based on the experimental models for the occurrence of heavy oil,this study evaluates the performance of hybrid CO_(2) thermal systems under various conditions using MD simulations.The results demonstrate that introducing CO_(2) molecules into heavy oil can effectively penetrate and decompose dense aggregates that are originally formed on hydrophobic surfaces.A stable miscible hybrid CO_(2) thermal system,with a high effective distribution ratio of CO_(2),proficiently reduces the interaction energies between heavy oil and rock surfaces,as well as within heavy oil.A visualization analysis of the interactions reveals that strong van der Waals(vdW)attractions occur between CO_(2) and heavy oil molecules,effectively promoting the decomposition and swelling of heavy oil.This unlocks the residual oil on the hydrophobic surfaces.Considering the impacts of temperature and CO_(2) concentration,an optimal gas-to-steam injection ratio(here,the CO_(2):steam ratio)ranging between 1:6 and 1:9 is recommended.This study examines the microscopic mechanisms underlying the hybrid CO_(2) thermal technique at a molecular scale,providing a significant theoretical guide for its expanded application in EOR. 展开更多
关键词 Heavy oil Hybrid CO_(2)thermal system Microscopic visualization experiment Molecular dynamics simulation Microscopic mechanism
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Research on the Dynamic Model of Spindle Rotation Induced Error Compensation System of Boring and its Simulation
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作者 杜正春 李春梅 颜景平 《Journal of Southeast University(English Edition)》 EI CAS 1999年第2期92-97,共6页
In this paper we address the dynamics of compensation cutting process from both Laplace s frequency domain and the time domain of the first time, using the two computer aided analyzing softwares: MATLAB and SIMULI... In this paper we address the dynamics of compensation cutting process from both Laplace s frequency domain and the time domain of the first time, using the two computer aided analyzing softwares: MATLAB and SIMULINK. Theoretical analysis and simulation experiments firstly show that not only the systematical stiffness of workpiece, spindle and tools, but also the regenerated coefficient affects the compensation displacement effect. The results show that the SREC is practicable in reality to decease the spindle induced errors in many engineering applications such as hard boring through simulation and the preliminary experiment results. 展开更多
关键词 spindle rotation induced error compensation (SREC) dynamic simulation regenerated coefficient μ boring process
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Design and dynamic simulation of hydraulic system of a new automatic transmission 被引量:15
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作者 王书翰 徐向阳 +3 位作者 刘艳芳 戴振坤 TEN BERGE P 曲巍 《Journal of Central South University》 SCIE EI CAS 2009年第4期697-701,共5页
A new hydraulic system of a novel automatic transmission (AT) was designed. The dimension and structure of valves and cylinders were designed by theoretical calculation. The dynamic simulation model of hydraulic syste... A new hydraulic system of a novel automatic transmission (AT) was designed. The dimension and structure of valves and cylinders were designed by theoretical calculation. The dynamic simulation model of hydraulic system of AT was established by ITI-SimulationX. Simulation results and theoretical design results were compared to confirm the simulation model. Based on the confirmed simulation model, the simulation results of pressure and flow of the hydraulic system were analyzed. The dynamic simulation method is very helpful for designing and analyzing the performance of hydraulic system and further optimization design. The theoretical design method and dynamic simulation model are feasible for the real industrial applications. The research results can be used in hydraulic system design and optimization. 展开更多
关键词 automatic transmission hydraulic system dynamic simulation
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Discovery of selective HDAC6 inhibitors driven by artificial intelligence and molecular dynamics simulation approaches 被引量:1
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作者 Xingang Liu Hao Yang +10 位作者 Xinyu Liu Minjie Mou Jie Liu Wenying Yan Tianle Niu Ziyang Zhang He Shi Xiangdong Su Xuedong Li Yang Zhang Qingzhong Jia 《Journal of Pharmaceutical Analysis》 2025年第8期1860-1872,共13页
Increasing evidence showed that histone deacetylase 6(HDAC6)dysfunction is directly associated with the onset and progression of various diseases,especially cancers,making the development of HDAC6-targeted anti-tumor ... Increasing evidence showed that histone deacetylase 6(HDAC6)dysfunction is directly associated with the onset and progression of various diseases,especially cancers,making the development of HDAC6-targeted anti-tumor agents a research hotspot.In this study,artificial intelligence(AI)technology and molecular simulation strategies were fully integrated to construct an efficient and precise drug screening pipeline,which combined Voting strategy based on compound-protein interaction(CPI)prediction models,cascade molecular docking,and molecular dynamic(MD)simulations.The biological potential of the screened compounds was further evaluated through enzymatic and cellular activity assays.Among the identified compounds,Cmpd.18 exhibited more potent HDAC6 enzyme inhibitory activity(IC_(50)=5.41 nM)than that of tubastatin A(TubA)(IC_(50)=15.11 nM),along with a favorable subtype selectivity profile(selectivity index z 117.23 for HDAC1),which was further verified by the Western blot analysis.Additionally,Cmpd.18 induced G2/M phase arrest and promoted apoptosis in HCT-116 cells,exerting desirable antiproliferative activity(IC_(50)=2.59 mM).Furthermore,based on long-term MD simulation trajectory,the key residues facilitating Cmpd.18's binding were identified by decomposition free energy analysis,thereby elucidating its binding mechanism.Moreover,the representative conformation analysis also indicated that Cmpd.18 could stably bind to the active pocket in an effective conformation,thus demonstrating the potential for in-depth research of the 2-(2-phenoxyethyl)pyridazin-3(2H)-one scaffold. 展开更多
关键词 Artificial intelligence Virtual screening Compound-protein interaction Molecular dynamic simulation Selective HDAC6 inhibitor
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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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Dynamic impact simulation tests of deep roadways affected by high stress and fault slip 被引量:1
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作者 Qi Wang Yuncai Wang +3 位作者 Zhenhua Jiang Hongpu Kang Chong Zhang Bei Jiang 《International Journal of Mining Science and Technology》 2025年第4期519-537,共19页
As coal mining depth increases,the combined effects of high stress,mining stress,and fault structures make dynamic impact hazards more frequent.The reproduction of dynamic impact phenomena is basis for studying their ... As coal mining depth increases,the combined effects of high stress,mining stress,and fault structures make dynamic impact hazards more frequent.The reproduction of dynamic impact phenomena is basis for studying their occurrence patterns and control mechanisms.Physical simulation test represents an efficacious methodology.However,there is currently a lack of simulation devices that can effectively simulate two types of dynamic impact phenomena,including high stress and fault slip dynamic impact.To solve aforementioned issues,the physical simulation test system for dynamic impact in deep roadways developed by authors is employed to carry out comparative tests of high stress and fault slip dynamic impact.The phenomena of high stress and fault slip dynamic impact are reproduced successfully.A comparative analysis is conducted on dynamic phenomena,stress evolution,roadway deformation,and support force.The high stress dynamic impact roadway instability mode,which is characterized by the release of high energy accompanied by symmetric damage,and the fault slip dynamic impact roadway instability mode,which is characterized by the propagation of unilateral stress waves accompanied by asymmetric damage,are clarified.On the basis,the differentiated control concepts for different types of dynamic impact in deep roadways are proposed. 展开更多
关键词 Deep roadway dynamic impact simulation High stress Fault slip Occurrence law
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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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Dynamic simulation and efficiency analysis of beam pumping system 被引量:3
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作者 邢明明 董世民 +2 位作者 童志雄 田然凤 陈慧玲 《Journal of Central South University》 SCIE EI CAS CSCD 2015年第9期3367-3379,共13页
An improved whole model of beam pumping system was built. In the detail, for surface transmission system(STS), a new mathematical model was established considering the influence of some factors on the STS's torsio... An improved whole model of beam pumping system was built. In the detail, for surface transmission system(STS), a new mathematical model was established considering the influence of some factors on the STS's torsional vibration, such as the time variation characteristic of equivalent stiffness of belt and equivalent rotational inertia of crank. For the sucker rod string(SRS), an improved mathematical model was built considering the influence of some parameters on the SRS's longitudinal vibration, such as the nonlinear friction of plunger, hydraulic loss of pump and clearance leakage. The dynamic response and system efficiency of whole system were analyzed. The results show that there is a jumping phenomenon in the amplitude frequency curve, and the system efficiency is sensitive to motor power, pump diameter, stroke number, ratio of gas and oil, and submergence depth. The simulation results have important significance for improving the efficiency of beam pumping system. 展开更多
关键词 beam pumping system surface transmission system(STS) sucker rod string(SRS) system efficiency dynamic simulation
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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 simulation of differential accumulation history of deep marine oil and gas in superimposed basin:A case study of Lower Paleozoic petroleum system of Tahe Oilfield,Tarim Basin,NW China 被引量:3
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作者 LI Bin ZHONG Li +4 位作者 LYU Haitao YANG Suju XU Qinqi ZHANG Xin ZHENG Binsong 《Petroleum Exploration and Development》 SCIE 2024年第5期1217-1231,共15页
According to the complex differential accumulation history of deep marine oil and gas in superimposed basins,the Lower Paleozoic petroleum system in Tahe Oilfield of Tarim Basin is selected as a typical case,and the p... According to the complex differential accumulation history of deep marine oil and gas in superimposed basins,the Lower Paleozoic petroleum system in Tahe Oilfield of Tarim Basin is selected as a typical case,and the process of hydrocarbon generation and expulsion,migration and accumulation,adjustment and transformation of deep oil and gas is restored by means of reservoine-forming dynamics simulation.The thermal evolution history of the Lower Cambrian source rocks in Tahe Oilfield reflects the obvious differences in hydrocarbon generation and expulsion process and intensity in different tectonic zones,which is the main reason controlling the differences in deep oil and gas phases.The complex transport system composed of strike-slip fault and unconformity,etc.controlled early migration and accumulation and late adjustment of deep oil and gas,while the Middle Cambrian gypsum-salt rock in inner carbonate platform prevented vertical migration and accumulation of deep oil and gas,resulting in an obvious"fault-controlled"feature of deep oil and gas,in which the low potential area superimposed by the NE-strike-slip fault zone and deep oil and gas migration was conducive to accumulation,and it is mainly beaded along the strike-slip fault zone in the northeast direction.The dynamic simulation of reservoir formation reveals that the spatio-temporal configuration of"source-fault-fracture-gypsum-preservation"controls the differential accumulation of deep oil and gas in Tahe Oilfield.The Ordovician has experienced the accumulation history of multiple periods of charging,vertical migration and accumulation,and lateral adjustment and transformation,and deep oil and gas have always been in the dynamic equilibrium of migration,accumulation and escape.The statistics of residual oil and gas show that the deep stratum of Tahe Oilfield still has exploration and development potential in the Ordovician Yingshan Formation and Penglaiba Formation,and the Middle and Upper Cambrian ultra-deep stratum has a certain oil and gas resource prospect.This study provides a reference for the dynamic quantitative evaluation of deep oil and gas in the Tarim Basin,and also provides a reference for the study of reservoir formation and evolution in carbonate reservoir of paleo-craton basin. 展开更多
关键词 superimposed basin Tarim Basin marine carbonate rock oil and gas differential accumulation dynamic accumulation simulation fluid potential technology Tahe Oilfield Lower Paleozoic petroleum system simulation deep and ultra-deep strata
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Dynamic modeling and simulation test of a 60 kW PEMFC generation system 被引量:1
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作者 Ying-ying ZHANG Ji-chang SUN +2 位作者 Ying ZHANG Xi LI Ouang-yi CAO 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2011年第6期475-482,共8页
In this paper,a 60 kW proton exchange membrane fuel cell(PEMFC) generation system is modeled in order to design the system parameters and investigate the static and dynamic characteristics for control purposes.To achi... In this paper,a 60 kW proton exchange membrane fuel cell(PEMFC) generation system is modeled in order to design the system parameters and investigate the static and dynamic characteristics for control purposes.To achieve an overall system model,the system is divided into five modules:the PEMFC stack(anode and cathode flows,membrane hydration,and stack voltage and power),cathode air supply(air compressor,supply manifold,cooler,and humidifier),anode fuel supply(hydrogen valve and humidifier),cathode exhaust exit(exit manifold and water return),and power conditioning(DC/DC and DC/AC) modules.Using a combination of empirical and physical modeling techniques,the model is developed to set the operation conditions of current,temperature,and cathode and anode gas flows and pressures,which have major impacts on system performance.The current model is based on a 60 kW PEMFC power plant designed for residential applications and takes account of the electrochemical and thermal aspects of chemical reactions within the stack as well as flows of reactants across the system.The simulation tests show that the system model can represent the static and dynamic characteristics of a 60 kW PEMFC generation system,which is mathematically simple for system parameters and control designs. 展开更多
关键词 Proton exchange membrane fuel cell(PEMFC) Generation system dynamic simulation model Reactant flow
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Research on Nonlinear Dynamic Simulation and Fatigue Reliability Life Prediction for Synthesis Transmission System of Self-Propelled Gun 被引量:1
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作者 YU Guibo CAO Lijun +1 位作者 WANG Shuhai MA Qiao 《Journal of Shanghai Jiaotong university(Science)》 EI 2018年第6期776-783,共8页
Aiming to the puzzle that the inner load of nonlinear synthesis transmission system is difficult to obtain,a new kind of virtual prototype establishment and simulation method is put forward. The influence on nonlinear... Aiming to the puzzle that the inner load of nonlinear synthesis transmission system is difficult to obtain,a new kind of virtual prototype establishment and simulation method is put forward. The influence on nonlinear vibration with flexible rotor, bearing backlash is analyzed based on a virtual prototype. To validate the virtual prototype of nonlinear gear transmission system, the corresponding test platform is established. The consistency between simulation results and test results proves that the simulation results of the virtual prototype can be used to calculate the fatigue reliability life of key components. A new kind of fatigue reliability life prediction method of gear system considering multi-random parameter distribution is put forward based on the fativipatistic theory. Considering the periodicity of gear meshing, linear interpolation method is adopted to obtain the stress-time course of random load spectrum based on the gear's complicated torque provided by virtual prototype.The gear's P-Sa-Sm-N curved cluster can be simulated based on material's P-S-N curve. The simulation process considers the parameter distributions of stress concentration coefficients, dimension coefficients and surface quality treatment coefficients, and settles the puzzle that traditional test methods cannot acquire the gear's fatigue life of all reliability levels. This method can provide the distribution function and the interval of fatigue reliability life of gear's danger region, and has a guide meaning for the gear maintenance periods determination and reliability evaluation. 展开更多
关键词 synthesis transmission system virtual prototype nonlinear dynamic simulation fatigue reliability life prediction
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Modeling and Simulation of Equipment Material Inventory Control Based on System Dynamics 被引量:2
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作者 WANG Bing CHEN Zhaojie LI Hao 《Journal of Donghua University(English Edition)》 EI CAS 2018年第3期256-260,共5页
The paper discusses how the inventory control of army equipment material runs sytematically under the two-level maintenance system,and establishes the inventory control model based on system dynamics.On the basis of m... The paper discusses how the inventory control of army equipment material runs sytematically under the two-level maintenance system,and establishes the inventory control model based on system dynamics.On the basis of modeling and simulation,the influence of different inventory upper limit on the whole system is studied,and the optimal inventory control mechanism under the model condition is foud.In addition,through the simulation of two replenishment strategies(s,S) and(T,s,S),the advantages and disadvantages and feasibility of each replenishment strategy are analyzed. 展开更多
关键词 inventory control system dynamics equipment material simulation
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A molecular dynamics simulation route towards Eu-doped multi-component transparent spectral conversion glass-ceramics
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作者 Xiuxia Xu Chenhao Wang +7 位作者 Di Wang Wenyan Zheng Zhiyu Liu Jincheng Du Xusheng Qiao Xianping Fan Zhiyu Wang Guodong Qian 《Journal of Rare Earths》 2025年第1期146-152,I0006,共8页
Eu^(2+)doped fluorosilicate glass-ceramics containing BaF_(2) nanocrystals have high potential as spectral conversion materials for organic solar cells.However,it is difficult to realize the efficient design of BaF_(2... Eu^(2+)doped fluorosilicate glass-ceramics containing BaF_(2) nanocrystals have high potential as spectral conversion materials for organic solar cells.However,it is difficult to realize the efficient design of BaF_(2):Eu^(2+)doped fluorosilicate glass and to vividly observe the glass microstructure in experiment through traditional trial-and-error glass preparation method.BaF_(2):Eu^(2+)doped fluorosilicate glassceramics with high transparency,and high photoluminescence(PL)performance were predicted,designed and prepared via molecular dynamics(MD)simulation method.By MD simulation prediction,self-organized nanocrystallization was realized to inhibit the abnormal growth of nanocrystals due to[AlO_(4)]tetrahedra formed in the fluoride-oxide interface.The introduction of NaF reduces the effective phonon energy of the glass because Na+will prompt Al^(3+)to migrate from the fluoride phase to the silicate phase and interface.The local environment of Eu^(2+)is optimized by predicting the doping concentration of EuF_(3) and 2 mol%EuF3 is the best concentration in this work.Glass-ceramics sample GC2Eu as spectral conversion layer was successfully applied on organic solar cells to obtain more available visible phonons with a high photoelectric conversion efficiency(PCE).This work confirms the guidance of molecular dynamics simulation methods for fluorosilicate glasses design. 展开更多
关键词 Molecular dynamics simulation Fluorosilicateglass Spectral conversion Organic solarcell RAREEARTHS
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Influence of Pressure on the Co-nonsolvency Effect of Homopolymer in Solutions:A Molecular Dynamics Simulation Study
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作者 Zhi-Yuan Wang Xing-Ye Li +4 位作者 Zheng Wang Yu-Hua Yin Run Jiang Peng-Fei Zhang Bao-Hui Li 《Chinese Journal of Polymer Science》 2025年第10期1929-1938,共10页
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
关键词 Molecular dynamics simulation Mixed solvent Co-nonsolvency PRESSURE Chain conformation
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Design and start-to-end beam dynamics simulation of the first super-radiant THz free-electron laser source in Thailand
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作者 Natthawut Chaisueb Sakhorn Rimjaem 《Nuclear Science and Techniques》 2025年第7期222-235,共14页
A super-radiant terahertz free-electron laser(THz-FEL)light source was developed for the first time in Thailand and Southeast Asia at the PBP-CMU Electron Linac Laboratory(PCELL)of Chiang Mai University.This radiation... A super-radiant terahertz free-electron laser(THz-FEL)light source was developed for the first time in Thailand and Southeast Asia at the PBP-CMU Electron Linac Laboratory(PCELL)of Chiang Mai University.This radiation source requires relatively ultrashort electron bunches to produce intense coherent THz pulses.Three electron bunch compression processes are utilized in the PCELL accelerator system comprising pre-bunch compression in an alpha magnet,velocity bunching in a radio-frequency(RF)linear accelerator(linac),and magnetic bunch compression in a 180°acromat system.Electron bunch compression in the magnetic compressor system poses considerable challenges,which are addressed through the use of three quadrupole doublets.The strengths of the quadrupole fields significantly influence the rotation of the beam line longitudinal phase space distribution along the bunch compressor.Start-to-end beam dynamics simulations using the ASTRA code were performed to optimize the electron beam properties for generating super-radiant THz-FEL radiation.The operational parameters considered in the simulations comprise the alpha magnet gradient,linac RF phase,and quadrupole field strengths.The optimization results show that 10-16MeV femtosecond electron bunches with a low energy spread(~0.2%),small normalized emittance(~15πmm·mrad),and high peak current(165-247A)can be produced by the PCELL accelerator system at the optimal parameters.A THz-FEL with sub-microjoule pulse energies can thus be obtained at the optimized electron beam parameters.The physical and conceptual design of the THz-FEL beamline were completed based on the beam dynamics simulation results.The construction and installation of this beamline are currently underway and expected to be completed by mid-2024.The commissioning of the beamline will then commence. 展开更多
关键词 THz radiation THz free-electron laser Super-radiant free-electron laser Pre-bunched free-electron laser Beam dynamic simulation Femtosecond electron bunches
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Plastic deformation mechanism of γ-phase U–Mo alloy studied by molecular dynamics simulations
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作者 Chang Wang Peng Peng Wen-Sheng Lai 《Chinese Physics B》 2025年第1期468-475,共8页
Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the p... Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications. 展开更多
关键词 U-Mo alloy molecular dynamics simulation plastic deformation mechanism dislocation slip twin formation
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