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Molecular basis of cross-interactions between Aβ and Tau protofibrils probed by molecular simulations
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作者 Fufeng Liu Luying Jiang +2 位作者 Jingcheng Sang Fuping Lu Li Li 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2023年第3期173-180,共8页
Amyloid β-protein(Aβ) and Tau, two common pathogenic proteins associated with Alzheimer’s disease(AD), cross-interact, and thus co-assemble into hybrid aggregates. However, molecular mechanism of the cross-interact... Amyloid β-protein(Aβ) and Tau, two common pathogenic proteins associated with Alzheimer’s disease(AD), cross-interact, and thus co-assemble into hybrid aggregates. However, molecular mechanism of the cross-interactions remains unclear. To explore the issue, docking and molecular dynamics(MD) simulations were coupled to study the cross-interactions between Aβ pentamer and Tau pentamer. Four stable hybrid decamer conformations including double layer, single layer, block, and part-in were obtained by protein-protein docking software HADDOCK 2.2. Then, MD simulations were used to explore the molecular mechanism of cross-interactions between Aβ pentamer and Tau pentamer. The results of MD simulations showed that the part-in structure was the most stable among all the above four representative ones. The binding energy between Aβ and Tau was about-759.77 kJ·mol-1in the part-in structure. Moreover, the part-in conformation would undergo conformational transition, which would improve its hydrophobicity and make the structure more compact. This work offers a structural understanding of cross-interactions between Aβ and Tau linked to AD. 展开更多
关键词 Alzheimer’s disease Amyloidβ-protein Tau Cross-interactions Protein-protein docking Molecular dynamics simulation
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Approximate expression of Young's equation and molecular dynamics simulation for its applicability 被引量:1
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作者 Shu-Wen Cui Jiu-An Wei +2 位作者 Wei-Wei Liu Ru-Zeng Zhu Qian Ping 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第1期527-531,共5页
In 1805, Thomas Young was the first to propose an equation(Young's equation) to predict the value of the equilibrium contact angle of a liquid on a solid. On the basis of our predecessors, we further clarify that ... In 1805, Thomas Young was the first to propose an equation(Young's equation) to predict the value of the equilibrium contact angle of a liquid on a solid. On the basis of our predecessors, we further clarify that the contact angle in Young's equation refers to the super-nano contact angle. Whether the equation is applicable to nanoscale systems remains an open question. Zhu et al. [College Phys. 4 7(1985)] obtained the most simple and convenient approximate formula, known as the Zhu–Qian approximate formula of Young's equation. Here, using molecular dynamics simulation, we test its applicability for nanodrops. Molecular dynamics simulations are performed on argon liquid cylinders placed on a solid surface under a temperature of 90 K, using Lennard–Jones potentials for the interaction between liquid molecules and between a liquid molecule and a solid molecule with the variable coefficient of strength a. Eight values of a between 0.650 and 0.825 are used. By comparison of the super-nano contact angles obtained from molecular dynamics simulation and the Zhu–Qian approximate formula of Young's equation, we find that it is qualitatively applicable for nanoscale systems. 展开更多
关键词 molecular dynamics simulation Young’s EQUATION surface tension Zhu–Qian APPROXIMATE FORMULA of Young’s EQUATION
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Spatio-temporal Dynamic Simulation of Urban Land Use in Karst Areas Based on CLUE-S Model——A Case Study of Dahua Yao Nationality Autonomous County in Guangxi Zhuang Autonomous Region 被引量:1
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作者 ZHOU Xian-fang 《Asian Agricultural Research》 2012年第2期26-30,共5页
This article uses TM images in 1999 and 2006 in Dahua County,selects the driving factors having great impact on urban land use change,and conducts data processing using GIS software.It then uses CLUE-S model to simula... This article uses TM images in 1999 and 2006 in Dahua County,selects the driving factors having great impact on urban land use change,and conducts data processing using GIS software.It then uses CLUE-S model to simulate land use change pattern in 2006,and uses land use map in 2006 to test the simulation results.The results show that the simulation achieves good effect,indicating that we can use CLUE-S model to simulate the future urban land use change in karst areas,to provide scientific decision-making support for sustainable development of land use. 展开更多
关键词 CLUE-s model dynamic simulation Dahua County Karst areas Urban land
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The Simulation on Dynamic of Rotary Inertia and Engine’s Inflamer in Light Vehicle
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作者 Run Xu 《Journal of Mechanical Engineering Research》 2020年第2期1-6,共6页
According to formula we can simulate their driven force and acceleration.The mechanical formula is used to obtain dynamics is used to simulate.The driven force increases when torque increases and tire diameter decreas... According to formula we can simulate their driven force and acceleration.The mechanical formula is used to obtain dynamics is used to simulate.The driven force increases when torque increases and tire diameter decreases.We need torque to increase so this is our plan.Acceleration raises when torque raises and it reduces when its weight raises.With the decreasing of radius of road the centripetal acceleration is increasing in the condition of light vehicle.It is that it decreases sluggishly before 0.35m/s2 then it maintains a steep decline to 0.62m/s2 and at last becomes sluggish again.It is valued that the economical efficiency about consumed fuel under different power.In the time of 0.2hr the fuel inflamer inclines sharply first then turns stable.It is the smallest value.Beyond it the fuel maintains a high value all the time.The discharged pollution gas decreases with the decreasing initial temperature.The low initial temperature is good to fuel gas.Meantime the smallest incline range is 300~350K which explains that it is the most save one. 展开更多
关键词 simulation dynamIC Car Rotary inertia Centripetal&circular acceleration Driven force TORQUE Consumed fuel Engine’s inflamer
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A simulation study of water property changes using geometrical alteration in SPC/E 被引量:1
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作者 Ming-Ru Li Nan Zhang Feng-Shou Zhang 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第8期204-211,共8页
We present a systematic investigation of the impact of changing the geometry structure of the SPC/E water model by performing a series of molecular dynamic simulations at 1 bar (1 bar = 105 Pa) and 298.15 K. The geo... We present a systematic investigation of the impact of changing the geometry structure of the SPC/E water model by performing a series of molecular dynamic simulations at 1 bar (1 bar = 105 Pa) and 298.15 K. The geometric modification includes altering the H-O-H angle range from 90° to 115° and modifying the O-H length range from 0.90 A to 1.10 A in the SPC/E model. The former is achieved by keeping the dipole moment constant by modifying the O-H length, while in the latter only the O-H length is changed. With the larger bond length and angle, we find that the liquid shows a strong quadrupole interaction and high tetrahedral structure order parameter, resulting in the enhancement of the network structure of the liquid. When the bond length or angle is reduced, the hydrogen bond lifetime and self-diffusion constant decrease due to the weakening of the intermolecular interaction. We find that modifying the water molecular bond length leading to the variation of the intermolecular interaction strength is more intensive than changing the bond angle. Through calculating the average reduced density gradient and thermal fluctuation index, it is found that the scope of vdW interaction with neighbouring water molecules is inversely proportional to the change of the bond length and angle. The effect is mainly due to a significant change of the hydrogen bond network. To study the effect of water models as a solvent whose geometry has been modified, the solutions of ions in different solvent environments are examined by introducing NaCI. During the dissolving process, NaCI ions are ideally dissolved in SPC/E water and bond with natural water more easily than with other solvent models. 展开更多
关键词 molecular dynamics simulation geometric modification intermolecular interaction ion's solva-tion
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Phenomenological Simulation Study of Neuronal Activity Synchronization in 110 Elements Network 被引量:1
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作者 Karpenko Kateryna Yatsiuk Ruslan Kononov Myhailo Sudakov Oleksandr 《Journal of Physical Science and Application》 2013年第4期217-223,共7页
The phenomenon of activity synchronization in biological neural network is considered. Simulation of neurons dynamics in the 6-layer neural network with 110 elements in different regimes: regular spikes, chaotic spik... The phenomenon of activity synchronization in biological neural network is considered. Simulation of neurons dynamics in the 6-layer neural network with 110 elements in different regimes: regular spikes, chaotic spikes, regular and chaotic bursting, etc was performed. Izhykevich's phenomenological model that displays different types of activity inherent for real biological neurons was used for simulation. Space-time diagram for the entire network and raster plots for the whole structure and for each layer separately were built for visual inspection of neural network activity synchronization. Synchronization coefficients based on cross-correlation times of action potentials for all neurons pairs were calculated for the whole neural system and for each layer separately. 展开更多
关键词 Neuron networks simulation Izhykevich's model neuron dynamics sYNCHRONIZATION the raster plot space-time diagram.
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Simulation modeling on the growth of firm's safety management capability
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作者 刘铁忠 李志祥 《Journal of Coal Science & Engineering(China)》 2008年第2期338-342,共5页
Aiming to the deficiency of safety management measure,established simulation model about firm's safety management capability(FSMC) based on organizational learning theory.The system dynamics(SD) method was used,in... Aiming to the deficiency of safety management measure,established simulation model about firm's safety management capability(FSMC) based on organizational learning theory.The system dynamics(SD) method was used,in which level and rate system,vari- able equation and system structure flow diagram was concluded.Simulation model was verified from two aspects: first,model's sensitivity to variable was tested from the gross of safety investment and the proportion of safety investment;second,variables dependency was checked up from the correlative variable of FSMC and organizational learning.The feasibility of simulation model is verified though these processes. 展开更多
关键词 simulation modeling firm's safety management capability(FsMC) organizational learning system dynamicssD)
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基于Simulink-s函数的铅酸蓄电池动态模型仿真 被引量:3
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作者 邹益民 《电气自动化》 2015年第2期33-34,50,共3页
介绍了一种基于铅酸蓄电池的三阶动态模型,并对其采用Simulink的S函数进行了仿真研究。考虑到铅酸蓄电池充放电特有的非线性及温度特性,建立了蓄电池的荷电状态、放电深度与充放电电流电压之间的动态关系。Simulink中可用S-Function方... 介绍了一种基于铅酸蓄电池的三阶动态模型,并对其采用Simulink的S函数进行了仿真研究。考虑到铅酸蓄电池充放电特有的非线性及温度特性,建立了蓄电池的荷电状态、放电深度与充放电电流电压之间的动态关系。Simulink中可用S-Function方便灵活地构建各种自定义仿真模型,使用Simulink中的S-Function builder模块快速构建了蓄电池动态模型。仿真结果表明,铅酸蓄电池的三阶动态模型完全能够满足应用需求。 展开更多
关键词 simulINK s-函数 铅酸蓄电池 动态模型 仿真
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基于分子对接虚拟筛选铜绿假单胞菌胞外酶exoS抑制剂的研究 被引量:2
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作者 陈双扣 唐思 +5 位作者 谭小庆 徐曦 任风鸣 管天冰 孙静怡 胡新龙 《化学研究与应用》 CAS 北大核心 2023年第7期1624-1634,共11页
铜绿假单胞菌是引起宿主防御机制受损患者严重感染的重要原因。胞外酶S(exoS)为铜绿假单胞菌III型分泌系统(T3SS)分泌的毒力因子之一,是维持细菌在宿主体内繁殖的重要步骤。因此,本文首先运用虚拟筛选的方法学研究,确定exoS的6GNJ靶点... 铜绿假单胞菌是引起宿主防御机制受损患者严重感染的重要原因。胞外酶S(exoS)为铜绿假单胞菌III型分泌系统(T3SS)分泌的毒力因子之一,是维持细菌在宿主体内繁殖的重要步骤。因此,本文首先运用虚拟筛选的方法学研究,确定exoS的6GNJ靶点蛋白为应用于分子对接虚拟筛选的最佳对接模型。随后利用分子对接、结构相似性筛选和类药性评价等多种策略,从中药系统药理学数据库与分析平台(TCMSP)数据库中筛选出4个命中分子。分子对接显示MOL008550和MOL001870与exoS受体蛋白具有强氢键作用和疏水相互作用,表现出较高的结合亲和力,为前2位最佳命中分子。结合分子动力学模拟分析发现,MOL008550和MOL001870与exoS受体蛋白的复合物比参考化合物(F4W501)具有更有利的动态稳定性。结合自由能计算显示,MOL008550和MOL001870的结合自由能强于F4W501,且与exoS受体蛋白的作用方式和F4W501类似,主要为静电、疏水作用及范德华力促进两者间的结合,其可能对exoS表现出更高的抑制活性,为潜在的exoS靶向小分子抑制剂。虚拟筛选活性化合物并探究其与胞外酶S的互作模式及动力学稳定性,为开发新型的高效靶向exoS抑制剂提供了研究思路和物质参考。 展开更多
关键词 铜绿假单胞菌 胞外酶 分子对接 虚拟筛选 分子动力学模拟
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Cellular automata modeling of pedestrian's crossing dynamics 被引量:6
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作者 张晋 王慧 李平 《Journal of Zhejiang University Science》 CSCD 2004年第7期835-840,共6页
Cellular automata modeling techniques and the characteristics of mixed traffic flow were used to derive the 2-dimensional model presented here for simulation of pedestrian’s crossing dynamics. A conception of “stop... Cellular automata modeling techniques and the characteristics of mixed traffic flow were used to derive the 2-dimensional model presented here for simulation of pedestrian’s crossing dynamics. A conception of “stop point” is introduced to deal with traffic obstacles and resolve conflicts among pedestrians or between pedestrians and the other vehicles on the crosswalk. The model can be easily extended, is very efficient for simulation of pedestrian’s crossing dy- namics, can be integrated into traffic simulation software, and has been proved feasible by simulation experiments. 展开更多
关键词 Cellular automata modeling Pedestrian’s crossing dynamics Traffic simulation
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Molecular Dynamics Study of Effects of Si-Doping Upon Structure and Mechanical Properties of Carbon Nanotube 被引量:1
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作者 SONG Hai-Yang SUN He-Ming ZHANG Guo-Xiang 《Communications in Theoretical Physics》 SCIE CAS CSCD 2006年第4期741-744,共4页
In this paper, a Si-doped single-walled carbon nanotube (SWCNT) (7,7) and several perfect armchair SWCNTs are investigated using the classical molecular dynamics simulations method. The inter-atomic short-range in... In this paper, a Si-doped single-walled carbon nanotube (SWCNT) (7,7) and several perfect armchair SWCNTs are investigated using the classical molecular dynamics simulations method. The inter-atomic short-range interaction is represented by empirical Tersoff bond order potential. The computational results show that the axial Young's modulus of the perfect SWCNTs are in the range of 1.099 ± 0.005 TPa, which is in good agreement with the existing experimental results. From our simulation, the Si-doping decreases the Young's modulus of SWCNT, and with the increased strain levels, the effect of Si-doped layer in enhancing the local stress level increases. The Young's modulus of armchair SWCNTs are weakly affected by tube radius. 展开更多
关键词 molecular dynamics simulation carbon nanotubes Young's modulus si-doping
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端面密封材料S-07不锈钢滑动摩擦学行为的分子动力学模拟 被引量:1
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作者 王权 庄宿国 +2 位作者 黄丹 朱正兴 刘秀波 《润滑与密封》 CAS CSCD 北大核心 2023年第3期141-146,共6页
为探究端面密封材料S-07不锈钢在不同参数下的摩擦学行为,构建纳米尺度下S-07不锈钢的摩擦磨损模型,以对偶件的压入深度和滑动速度作为变量,研究S-07不锈钢表面摩擦学性能及形貌变化。结果表明:随着摩擦相对滑动速度的增加(50、100、150... 为探究端面密封材料S-07不锈钢在不同参数下的摩擦学行为,构建纳米尺度下S-07不锈钢的摩擦磨损模型,以对偶件的压入深度和滑动速度作为变量,研究S-07不锈钢表面摩擦学性能及形貌变化。结果表明:随着摩擦相对滑动速度的增加(50、100、150 m/s),S-07不锈钢磨损表面粗糙度降低;随着对偶件压入深度(0.3、0.6、0.9 nm)的增大,摩擦因数呈上升趋势;磨损量随压入深度增大而增大,随滑动速度上升呈下降趋势。在微观尺度上,从位错、塑性变形等角度解释了在不同磨损条件下S-07不锈钢性能变化的原因,为该材料适用摩擦工况的选择提供了理论参考。 展开更多
关键词 端面密封 摩擦学行为 分子动力学模拟 s-07不锈钢
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Thermal transport property of Ge_(34) and d-Ge investigated by molecular dynamics and the Slack's equation
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作者 王汉夫 禇卫国 +1 位作者 郭延军 金灏 《Chinese Physics B》 SCIE EI CAS CSCD 2010年第7期445-455,共11页
In this study, we evaluate the values of lattice thermal conductivity κL of type Ⅱ Ge clathrate (Ge34) and diamond phase Ge crystal (d-Ce) with the equilibrium molecular dynamics (EMD) method and the Slack's ... In this study, we evaluate the values of lattice thermal conductivity κL of type Ⅱ Ge clathrate (Ge34) and diamond phase Ge crystal (d-Ce) with the equilibrium molecular dynamics (EMD) method and the Slack's equation. The key parameters of the Slack's equation are derived from the thermodynamic properties obtained from the lattice dynamics (LD) calculations. The empirical Tersoff's potential is used in both EMD and LD simulations. The thermal conductivities of d-Ge calculated by both methods are in accordance with the experimental values. The predictions of the Slack's equation are consistent with the EMD results above 250 K for both Ge34 and d-Ge. In a temperature range of 200-1000 K, the κL value of d-Ge is about several times larger than that of Ge34. 展开更多
关键词 CLATHRATE thermal conductivity molecular dynamics simulation the slack's equation
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The nonlinear control of simulator of hexapod parallel mechanism
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作者 潘春萍 管欣 +1 位作者 卢颖 梁建民 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2010年第3期393-397,共5页
In order to enhance the innervation fidelity of simulators,a nonlinear controller is developed,which guarantees parallel mechanisms closed loop system global asymptotical stability and the convergence of posture track... In order to enhance the innervation fidelity of simulators,a nonlinear controller is developed,which guarantees parallel mechanisms closed loop system global asymptotical stability and the convergence of posture tracking error in Cartesian space. The problems of rapid tracking under the condition of the wide range,nonlinear and variable load are solved. After the nonlinear controller is actually applied to the hexapod parallel mechanisms of simulator,the dynamic-static capabilities of motion system are tested by amplitude-frequency response and posture precision. The experimental results show that the static precision improves ten times and system output amplitude increases and the phase lag reduces with respect to the same input signal in Cartesian space in comparison with the traditional proportional and derivative (i.e. PD) controlling method in joint space. Therefore the nonlinear controller can effectively improve the dynamic-static response performance of the hexapod parallel mechanisms of simulators in Cartesian space. 展开更多
关键词 simulators hexapod parallel mechanisms dynamics model nonlinear control irmervation' s fidelity
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基于分子动力学模拟的聚合物纤维/C-S-H界面黏结性能研究
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作者 崔梦肖 刘娇 +2 位作者 耿永娟 刘昂 王攀 《青岛理工大学学报》 CAS 2023年第6期1-9,共9页
纤维增强混凝土(FRC)的宏观力学性能是由界面微观结构和水化产物与纤维之间的界面结合性能决定的。通过分子动力学模拟研究了PVA,PA和PP纤维在水化硅酸钙(C-S-H)基体中的拉拔过程,表征了聚合物纤维/C-S-H界面的黏结性能。研究结果表明,... 纤维增强混凝土(FRC)的宏观力学性能是由界面微观结构和水化产物与纤维之间的界面结合性能决定的。通过分子动力学模拟研究了PVA,PA和PP纤维在水化硅酸钙(C-S-H)基体中的拉拔过程,表征了聚合物纤维/C-S-H界面的黏结性能。研究结果表明,聚合物纤维类型与复合材料界面的黏结性能密切相关,CS-H黏结性能排序为PVA>PA>PP。界面中的Ca^(2+)通过形成O_(CSH)-Ca-O_(poly)连接,为界面键合的主要贡献者。此外PVA或PA纤维与C-S-H基体之间可以形成H键,起到辅助增强界面键合的作用。通过配位数的分析定量比较了界面处不同键合数目,并联合原子动力学行为差异的分析结果来综合解释键合差异的原因。纤维界面黏结性能在分子尺度的探明有助于指导水泥/纤维复合材料的设计与制备。 展开更多
关键词 分子动力学模拟 聚合物纤维 水化硅酸钙 力学性能
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地聚合物凝胶体系中N-A-S-H和C-A-S-H结构的分子模拟 被引量:20
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作者 王晴 康升荣 +2 位作者 吴丽梅 唐宁 张强 《建筑材料学报》 EI CAS CSCD 北大核心 2020年第1期184-191,共8页
钙元素对地聚合物凝胶结构的形成影响显著,根据含钙量的不同可分为高钙体系(C-A-S-H)和无钙体系(N-A-S-H).基于Materials Studio软件,用Amorphous Cell(AC)模块构建了N-A-S-H和C-A-S-H凝胶结构模型.在Universal力场下,对2个凝胶结构模... 钙元素对地聚合物凝胶结构的形成影响显著,根据含钙量的不同可分为高钙体系(C-A-S-H)和无钙体系(N-A-S-H).基于Materials Studio软件,用Amorphous Cell(AC)模块构建了N-A-S-H和C-A-S-H凝胶结构模型.在Universal力场下,对2个凝胶结构模型的稳定性、动力学轨迹、微观表征及弹性模量进行了分子动力学模拟.结果表明,构建的N-A-S-H和C-A-S-H凝胶结构模拟值与试验值吻合较好.由于钙元素的存在,无定形态体系出现了向晶体转变的特征,并对地聚合物的力学性能产生正向增益. 展开更多
关键词 N-A-s-H凝胶 C-A-s-H凝胶 分子动力学模拟 Materials studio软件
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基于SD-GIS模型的兰州市住宅价格时空模拟研究 被引量:9
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作者 罗平 何素芳 +3 位作者 黄耀丽 牛慧恩 蒲欣东 杜清运 《兰州大学学报(自然科学版)》 CAS CSCD 北大核心 2002年第4期125-130,共6页
结合对兰州市住房市场的实证研究 ,从理论和实践两方面构建了兰州市 SD- GIS城市住宅价格时空仿真模型 ,并借助相应计算机软件对模型进行了调试和分析 ,得到了令人比较满意的时间序列地图 .认为在支持 GIS产品的时空数据模型研究还不太... 结合对兰州市住房市场的实证研究 ,从理论和实践两方面构建了兰州市 SD- GIS城市住宅价格时空仿真模型 ,并借助相应计算机软件对模型进行了调试和分析 ,得到了令人比较满意的时间序列地图 .认为在支持 GIS产品的时空数据模型研究还不太成熟的现状下 ,借助于 SD的多方案动态模拟功能 ,利用 SD- GIS集成方式全面地描述、解析和模拟时空系统是一种可以尝试的思路 。 展开更多
关键词 sD-GIs模型 兰州市 地理信息系统 系统动力学 模型空间概念 时空模拟 住宅价格
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语音编/解码仿真中S函数的设计与应用 被引量:4
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作者 姚文冰 姚天任 韩涛 《华中科技大学学报(自然科学版)》 EI CAS CSCD 北大核心 2001年第5期83-85,共3页
以SIMULINK中M型S函数的设计为例 ,详细讨论了S函数的设计方法 ,并利用其实现了一个基于高阶谱分析的语音编 /解码实时仿真系统 .该系统解码后恢复的语音性能更接近于原始语音 ,所估计的激励信号更接近于白噪声 .与传统的方法相比 ,本... 以SIMULINK中M型S函数的设计为例 ,详细讨论了S函数的设计方法 ,并利用其实现了一个基于高阶谱分析的语音编 /解码实时仿真系统 .该系统解码后恢复的语音性能更接近于原始语音 ,所估计的激励信号更接近于白噪声 .与传统的方法相比 ,本方法提高了工作效率和可靠性 。 展开更多
关键词 语音编码 动态仿真 高阶谱分析 s函数 语音解码 simulINK
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用S-函数对复杂动力学系统的一种分时段仿真方法 被引量:4
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作者 王灏 毛宗源 周其节 《计算机仿真》 CSCD 1999年第1期55-57,36,共4页
介绍了在Matlab/Simulink环境下利用S-函数的特点来实现对大型动力学系统分时分阶段仿真的原理与方法。并以2自由度机器人的动力学仿真为例,说明了具体的实现步骤。
关键词 动力学系统 s-函数 M-文件 系统仿真
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基于S-Function的PEM燃料电池建模仿真分析 被引量:6
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作者 郭健忠 王家欣 +1 位作者 孙凯华 严运兵 《中国科技论文》 CAS 北大核心 2020年第12期1364-1370,共7页
采用MATLAB/Simulink中的S函数模块,基于质子交换膜燃料电池(proton exchange membrane fuel cell,PEMFC)电化学特性进行仿真建模。该方法与传统建模相较,优点在于用代码方式表达,方便工程师根据自己的需要加以剪裁,集成度高,通用性强,... 采用MATLAB/Simulink中的S函数模块,基于质子交换膜燃料电池(proton exchange membrane fuel cell,PEMFC)电化学特性进行仿真建模。该方法与传统建模相较,优点在于用代码方式表达,方便工程师根据自己的需要加以剪裁,集成度高,通用性强,仿真程序编写简单。通过S函数建立的电化学模型,可研究环境变量以及参变量对电堆动态输出性能与非线性内阻(极化电压)产生的影响。精准的PEMFC仿真模型在电堆的输入参数出现阶跃变化时,能及时地体现出电堆电压、输出功率、极化曲线等的动态响应,有助于控制系统的研发。仿真分析表明,仿真结果与实验数据完全吻合,验证了S函数模型的有效性和准确性,此建模方式可推广至PEMFC辅助系统与整车控制系统。 展开更多
关键词 质子交换膜燃料电池 仿真建模 s函数 极化电压 动态响应
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