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Dynamic simulating model of the field resources utilizing system
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作者 CUI He-rui ZHAI Gai-hua 《Chinese Business Review》 2007年第4期29-34,共6页
In views of system theory, information theory and cybernetics, this paper utilizes the method of the system dynamics to create the field resources utilizing system main diagram of causation and system dynamic followin... In views of system theory, information theory and cybernetics, this paper utilizes the method of the system dynamics to create the field resources utilizing system main diagram of causation and system dynamic following diagram, uses the Dynamo computer language to construct the dynamic emulating model, and with the help of computer, completes the computer dynamic simulating of the field resources utilizing system. This paper utilizes the method of AHP (analytical hierarchy process) to seek for the most excellent program of Nanpi County's field resources utilizing structure. So we can provide scientific basis for leaders to make scientific management and strategic decision and the limited field resources will bring out the most benefit for society, economics and ecological. 展开更多
关键词 field resource utilizing system dynamic simulating DECISION Nanpi County of Hebei Province
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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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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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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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Interrelations Between Socio-economic Development and Environmental Quality:a Simulation Integrating System Dynamics Models with GIS 被引量:3
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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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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 modeling of a parafoil system considering flap deflection 被引量:4
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作者 Tao Jin Sun Qinglin +1 位作者 Chen Zengqiang He Yingping 《Journal of Southeast University(English Edition)》 EI CAS 2017年第4期416-425,共10页
In order to better study the dynamic characteristics and the control strategy of parafoil systems,considering the effect of flap deflection as the control mechanism and regarding the parafoil and the payload as a rigi... In order to better study the dynamic characteristics and the control strategy of parafoil systems,considering the effect of flap deflection as the control mechanism and regarding the parafoil and the payload as a rigid body,a six degrees-of-freedom(DOF)dynamic model of a parafoil system including three DOF for translational motion and three DOF for rotational motion,is established according to the K rchhoff motion equation.Since the flexible winged paafoil system flying at low altitude is more susceptibleto winds,the motion characteristics of the parafoil system Wth and Wthout winds are simulated and analyzed.Furthermore,the ardropm test is used to further verify the model.The comparison results show that the simulation trajectory roughly overlaps with the actual flight track.The horzontnl velocity of the simulation model is in good accordance with the airdrop test,with a deviation less than0.5m/s,while its simulated vertical velocity fuctuates slightly under the infuence of the wind,and shows a similar trend to the ardrop test.It is concludedthat the established model can well describe the characteristics of the parafoil system. 展开更多
关键词 parafoil system dynamic modeling and simulation fig h t chaacterstic airdrop experiment fap defection
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Structures and Dynamics of a Two-Dimensional Confined Dusty Plasma System 被引量:2
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作者 HUANG Feng LIU Yan-Hong WANG Long 《Communications in Theoretical Physics》 SCIE CAS CSCD 2005年第6X期1081-1086,共6页
The influence of the confining potential strength and temperature on the structures and dynamics of a two-dimensional (2D) dusty plasma system is investigated through molecular dynamic (MD) simulation. The circular sy... The influence of the confining potential strength and temperature on the structures and dynamics of a two-dimensional (2D) dusty plasma system is investigated through molecular dynamic (MD) simulation. The circular symmetric confining potential leads to the nonuniform packing of particles, that is, an inner core with a hexagon lattice surrounded by a few outer circular shells. Under the appropriate confining potential and temperature, the particle trajectories on middle shells form a series of concentric and nested hexagons due to tangential movements of particles.Mean square displacement, self-diffusion constant, pair correlation function, and the nearest bond are used to characterize the structural and dynamical properties of the system. With the increase of the confining potential, the radial and tangential movements of particles have different behaviors. With the increase of temperature, the radial and tangential motions strengthen, particle trajectories gradually become disordered, and the system gradually changes from a crystal or liquid state to a gas state. 展开更多
关键词 dusty plasma molecular dynamic simulation STRUCTURES dynamicS
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Comparison of a Very-fine-resolution GCM with RCM Dynamical Downscaling in Simulating Climate in China 被引量:11
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作者 Donglin GUO Huijun WANG 《Advances in Atmospheric Sciences》 SCIE CAS CSCD 2016年第5期559-570,共12页
Regional climate simulation can generally be improved by using an RCM nested within a coarser-resolution GCM.However, whether or not it can also be improved by the direct use of a state-of-the-art GCM with very fine r... Regional climate simulation can generally be improved by using an RCM nested within a coarser-resolution GCM.However, whether or not it can also be improved by the direct use of a state-of-the-art GCM with very fine resolution, close to that of an RCM, and, if so, which is the better approach, are open questions. These questions are important for understanding and using these two kinds of simulation approaches, but have not yet been investigated. Accordingly, the present reported work compared simulation results over China from a very-fine-resolution GCM(VFRGCM) and from RCM dynamical downscaling. The results showed that:(1) The VFRGCM reproduces the climatologies and trends of both air temperature and precipitation, as well as inter-monthly variations of air temperature in terms of spatial pattern and amount, closer to observations than the coarse-resolution version of the GCM. This is not the case, however, for the inter-monthly variations of precipitation.(2) The VFRGCM captures the climatology, trend, and inter-monthly variation of air temperature, as well as the trend in precipitation, more reasonably than the RCM dynamical downscaling method.(3) The RCM dynamical downscaling method performs better than the VFRGCM in terms of the climatology and inter-monthly variation of precipitation. Overall,the results suggest that VFRGCMs possess great potential with regard to their application in climate simulation in the future,and the RCM dynamical downscaling method is still dominant in terms of regional precipitation simulation. 展开更多
关键词 climate simulation dynamical downscaling GCM RCM
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Dynamics of Anchor Last Deployment of Submersible Buoy System 被引量:1
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作者 ZHENG Zhongqiang XU Jianpeng +3 位作者 HUANG Peng WANG Lei YANG Xiaoguang CHANG Zongyu 《Journal of Ocean University of China》 SCIE CAS 2016年第1期69-77,共9页
Submersible buoy systems are widely used for oceanographic research,ocean engineering and coastal defense.Severe sea environment has obvious effects on the dynamics of submersible buoy systems.Huge tension can occur a... Submersible buoy systems are widely used for oceanographic research,ocean engineering and coastal defense.Severe sea environment has obvious effects on the dynamics of submersible buoy systems.Huge tension can occur and may cause the snap of cables,especially during the deployment period.This paper studies the deployment dynamics of submersible buoy systems with numerical and experimental methods.By applying the lumped mass approach,a three-dimensional multi-body model of submersible buoy system is developed considering the hydrodynamic force,tension force and impact force between components of submersible buoy system and seabed.Numerical integration method is used to solve the differential equations.The simulation output includes tension force,trajectory,profile and dropping location and impact force of submersible buoys.In addition,the deployment experiment of a simplified submersible buoy model was carried out.The profile and different nodes' velocities of the submersible buoy are obtained.By comparing the results of the two methods,it is found that the numerical model well simulates the actual process and conditions of the experiment.The simulation results agree well with the results of the experiment such as gravity anchor's location and velocities of different nodes of the submersible buoy.The study results will help to understand the conditions of submersible buoy's deployment,operation and recovery,and can be used to guide the design and optimization of the system. 展开更多
关键词 submersible buoy anchor last deployment dynamic simulation experiment SNAP SLACK TAUT
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DYNAMIC MODEL AND SIMULATION OF A NOVEL ELECTRO-HYDRAULIC FULLY VARIABLE VALVE SYSTEM FOR FOUR-STROKE AUTOMOTIVE ENGINES 被引量:3
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作者 WONG Pak-kin TAM Lap-mou LI Ke 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2007年第5期80-86,共7页
In modem four-stroke engine technology, variable valve timing and lift control offers potential benefits for making a high-performance engine. A novel electro-hydraulic fully variable valve train for four-stroke autom... In modem four-stroke engine technology, variable valve timing and lift control offers potential benefits for making a high-performance engine. A novel electro-hydraulic fully variable valve train for four-stroke automotive engines is introduced. The construction of the nonlinear mathematic model of the valve train system and its dynamic analysis are also presented. Experimental and simulation results show that the novel electro-hydraulic valve train can achieve fully variable valve timing and lift control. Consequently the engine performance on different loads and speeds will be significantly increased. The technology also permits the elimination of the traditional throttle valve in the gasoline engines and increases engine design flexibility. 展开更多
关键词 Fully variable engine valve train dynamic model Simulation
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Matlab/Simulink Based Dynamic Simulation System for Distance Protection 被引量:1
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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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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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Molecular dynamics simulations of displacement cascades in Fe-10%Cr systems
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作者 郁刚 马雁 +1 位作者 蔡军 陆道纲 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第3期314-320,共7页
Molecular dynamics simulations of the displacement cascades in Fe 10%Cr systems are used to sinmlate the primary knocked-on atom events of the irradiation damage at temperatures 300, 600, and 750 K with primary knocke... Molecular dynamics simulations of the displacement cascades in Fe 10%Cr systems are used to sinmlate the primary knocked-on atom events of the irradiation damage at temperatures 300, 600, and 750 K with primary knockedon atom energies between 1 and 15 keV. The results indicate that the vacancies produced by the cascade are all in the central region of the displacement cascade. During the cascade, all recoil Fe and Cr atoms combine with each other to form Fe Cr or Fe Fe interstitial dumbbells as well as interstitial clusters. The number and the size of interstitial clusters increase with the energy of the primary knocked-on atom and the temperature. A few large clusters consist of a large number of lee interstitials with a few Cr atoms, the rest are lee Cr clusters with small and medium sizes. The interstitial dumbbells of Fe lee and Fe-Cr are in the (111)and (110) series directions, respectively. 展开更多
关键词 molecular dynamics simulations displacement cascades irradiation damage primary knocked-on atom
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Clustering Algorithms to Analyze Molecular Dynamics Simulation Trajectories for Complex Chemical and Biological Systems
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作者 Jun-hui Peng Wei Wang +2 位作者 Ye-qing Yu Han-lin Gu Xuhui Huang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2018年第4期404-420,613,共18页
Molecular dynamics (MD) simulation has become a powerful tool to investigate the structure- function relationship of proteins and other biological macromolecules at atomic resolution and biologically relevant timesc... Molecular dynamics (MD) simulation has become a powerful tool to investigate the structure- function relationship of proteins and other biological macromolecules at atomic resolution and biologically relevant timescales. MD simulations often produce massive datasets con- taining millions of snapshots describing proteins in motion. Therefore, clustering algorithms have been in high demand to be developed and applied to classify these MD snapshots and gain biological insights. There mainly exist two categories of clustering algorithms that aim to group protein conformations into clusters based on the similarity of their shape (geometric clustering) and kinetics (kinetic clustering). In this paper, we review a series of frequently used clustering algorithms applied in MD simulations, including divisive algorithms, ag- glomerative algorithms (single-linkage, complete-linkage, average-linkage, centroid-linkage and ward-linkage), center-based algorithms (K-Means, K-Medoids, K-Centers, and APM), density-based algorithms (neighbor-based, DBSCAN, density-peaks, and Robust-DB), and spectral-based algorithms (PCCA and PCCA+). In particular, differences between geomet- ric and kinetic clustering metrics will be discussed along with the performances of diflhrent clustering algorithms. We note that there does not exist a one-size-fits-all algorithm in the classification of MD datasets. For a specific application, the right choice of clustering algo- rithm should be based on the purpose of clustering, and the intrinsic properties of the MD conformational ensembles. Therefore, a main focus of our review is to describe the merits and limitations of each clustering algorithm. We expect that this review would be helpful to guide researchers to choose appropriate clustering algorithms for their own MD datasets. 展开更多
关键词 Molecular dynamics simulation Clustering algorithms Markov state models Protein dynamics
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Molecular Dynamics Simulation of Shock Response of CL-20 Co-crystals Containing Void Defects
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作者 Changlin Li Wei Yang +5 位作者 Qiang Gan Yajun Wang Lin Liang Wenbo Zhang Shuangfei Zhu Changgen Feng 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第1期364-374,共11页
To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitro... To investigate the effect of void defects on the shock response of hexanitrohexaazaisowurtzitane(CL-20)co-crystals,shock responses of CL-20 co-crystals with energetic materials ligands trinitrotoluene(TNT),1,3-dinitrobenzene(DNB),solvents ligands dimethyl carbonate(DMC) and gamma-butyrolactone(GBL)with void were simulated,using molecular dynamics method and reactive force field.It is found that the CL-20 co-crystals with void defects will form hot spots when impacted,significantly affecting the decomposition of molecules around the void.The degree of molecular fragmentation is relatively low under the reflection velocity of 2 km/s,and the main reactions are the formation of dimer and the shedding of nitro groups.The existence of voids reduces the safety of CL-20 co-crystals,which induced the sensitivity of energetic co-crystals CL-20/TNT and CL-20/DNB to increase more significantly.Detonation has occurred under the reflection velocity of 4 km/s,energetic co-crystals are easier to polymerize than solvent co-crystals,and are not obviously affected by voids.The results show that the energy of the wave decreases after sweeping over the void,which reduces the chemical reaction frequency downstream of the void and affects the detonation performance,especially the solvent co-crystals. 展开更多
关键词 CL-20 co-crystals Molecular dynamics simulation Reactive forcefield Impact response Hot spot Void defect
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Study of the Relationship Between New Ionic Interaction Parameters and Salt Solubility in Electrolyte Solutions Based on Molecular Dynamics Simulation
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作者 SUN Wenting HU Yangdong +5 位作者 ZHENG Jiahuan SUN Qichao Chen Xia DING Jiakun ZHANG Weitao WU Lianying 《Journal of Ocean University of China》 CAS CSCD 2024年第2期467-476,共10页
Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is... Studying the relationship between ionic interactions and salt solubility in seawater has implications for seawater desalination and mineral extraction.In this paper,a new method of expressing ion-to-ion interaction is proposed by using molecular dynamics simulation,and the relationship between ion-to-ion interaction and salt solubility in a simulated seawater water-salt system is investigated.By analyzing the variation of distance and contact time between ions in an electrolyte solution,from both spatial and temporal perspectives,new parameters were proposed to describe the interaction between ions:interaction distance(ID),and interaction time ratio(ITR).The best correlation between characteristic time ratio and solubility was found for a molar ratio of salt-to-water of 10:100 with a correlation coefficient of 0.96.For the same salt,a positive correlation was found between CTR and the molar ratio of salt and water.For type 1-1,type 2-1,type 1-2,and type 2-2 salts,the correlation coefficients between CTR and solubility were 0.93,0.96,0.92,and 0.98 for a salt-to-water molar ratio of 10:100,respectively.The solubility of multiple salts was predicted by simulations and compared with experimental values,yielding an average relative deviation of 12.4%.The new ion-interaction parameters offer significant advantages in describing strongly correlated and strongly hydrated electrolyte solutions. 展开更多
关键词 molecular dynamics simulation interaction distance interaction time rate electrolyte aqueous solutions SOLUBILITY
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Molecular dynamics simulation of the flow mechanism of shear-thinning fluids in a microchannel
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作者 杨刚 郑庭 +1 位作者 程启昊 张会臣 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第4期516-525,共10页
Shear-thinning fluids have been widely used in microfluidic systems,but their internal flow mechanism is still unclear.Therefore,in this paper,molecular dynamics simulations are used to study the laminar flow of shear... Shear-thinning fluids have been widely used in microfluidic systems,but their internal flow mechanism is still unclear.Therefore,in this paper,molecular dynamics simulations are used to study the laminar flow of shear-thinning fluid in a microchannel.We validated the feasibility of our simulation method by evaluating the mean square displacement and Reynolds number of the solution layers.The results show that the change rule of the fluid system's velocity profile and interaction energy can reflect the shear-thinning characteristics of the fluids.The velocity profile resembles a top-hat shape,intensifying as the fluid's power law index decreases.The interaction energy between the wall and the fluid decreases gradually with increasing velocity,and a high concentration of non-Newtonian fluid reaches a plateau sooner.Moreover,the velocity profile of the fluid is related to the molecule number density distribution and their values are inversely proportional.By analyzing the radial distribution function,we found that the hydrogen bonds between solute and water molecules weaken with the increase in velocity.This observation offers an explanation for the shear-thinning phenomenon of the non-Newtonian flow from a micro perspective. 展开更多
关键词 molecular dynamics simulation non-Newtonian fluid MICROCHANNEL SHEAR-THINNING
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