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A Time-Domain Numerical Simulation for Free Motion Responses of Two Ships Advancing in Head Waves
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作者 PAN Su-yong CHENG Yong 《China Ocean Engineering》 SCIE EI CSCD 2024年第3期519-530,共12页
The constant panel method within the framework of potential flow theory in the time domain is developed for solving the hydrodynamic interactions between two parallel ships with forward speed.When solving problems wit... The constant panel method within the framework of potential flow theory in the time domain is developed for solving the hydrodynamic interactions between two parallel ships with forward speed.When solving problems within a time domain framework,the free water surface needs to simultaneously satisfy both the kinematic and dynamic boundary conditions of the free water surface.This provides conditions for adding artificial damping layers.Using the Runge−Kutta method to solve equations related to time.An upwind differential scheme is used in the present method to deal with the convection terms on the free surface to prevent waves upstream.Through the comparison with the available experimental data and other numerical methods,the present method is proved to have good mesh convergence,and satisfactory results can be obtained.The constant panel method is applied to calculate the hydrodynamic interaction responses of two parallel ships advancing in head waves.Numerical simulations are conducted on the effects of forward speed,different longitudinal and lateral distances on the motion response of two modified Wigley ships in head waves.Then further investigations are conducted on the effects of different ship types on the motion response. 展开更多
关键词 ship motions time domain simulation forward speed different distances wave loads
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Stabilized Multi-domain Simulation Algorithms and Their Application in Simulation Platform for Forging Manipulator 被引量:3
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作者 HUANG Shunzhou ZHAO Yong +1 位作者 WANG Hao LIN Zhongqin 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2014年第1期92-102,共11页
Most researches focused on the analytical stabilized algorithm for the modular simulation of single domain, e.g., pure mechanical systems. Only little work has been performed on the problem of multi-domain simulation ... Most researches focused on the analytical stabilized algorithm for the modular simulation of single domain, e.g., pure mechanical systems. Only little work has been performed on the problem of multi-domain simulation stability influenced by algebraic loops. In this paper, the algebraic loop problem is studied by a composite simulation method to reveal the internal relationship between simulation stability and system topologies and simulation unit models. A stability criterion of multi-domain composite simulation is established, and two algebraic loop compensation algorithms are proposed using numerical iteration and approximate function in multi-domain simulation. The numerical stabilized algorithm is the Newton method for the solution of the set of nonlinear equations, and it is used here in simulation of the system composed of mechanical system and hydraulic system. The approximate stabilized algorithm is the construction of response surface for inputs and outputs of unknown unit model, and it is utilized here in simulation of the system composed of forging system, mechanical and hydraulic system. The effectiveness of the algorithms is verified by a case study of multi-domain simulation for forging system composed of thermoplastic deformation of workpieces, mechanical system and hydraulic system of a manipulator. The system dynamics simulation results show that curves of motion and force are continuous and convergent. This paper presents two algorithms, which are applied to virtual reality simulation of forging process in a simulation platform for a manipulator, and play a key role in simulation efficiency and stability. 展开更多
关键词 DYNAMICS multi-domain simulation STABILITY algebraic loop
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Design of Multi-domain Collaborative Simulation System for Dual Clutch Transmission Based on CAN Bus
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作者 司建玉 吴光强 《Journal of Donghua University(English Edition)》 EI CAS 2011年第6期599-604,共6页
A multi-domain collaborative simulation(MDCS) system for dual clutch transmission(DCT) was presented based on controller area network(CAN) bus.An interface card of CAN bus was designed,in which MDCS subsystems were li... A multi-domain collaborative simulation(MDCS) system for dual clutch transmission(DCT) was presented based on controller area network(CAN) bus.An interface card of CAN bus was designed,in which MDCS subsystems were linked as the nodes according to the interface mode of MDCS.A DCT simulation model was established based on Matlab/Simdriveline,whose running process was accurately controlled by the designed control system.The playback system of vehicle state(VPS) was proposed whose input was the road-test data,with a real vehicle test environment for the development of transmission control unit(TCU) being provided.A DCT kinematic system model was set up,and the running status of DCT parts could be displayed in real time.The functions of MDCS were verified based on the extra-urban driving cycle(EUDC) and the vehicle road-test data respectively.The results show the functions of MDCS are accomplished,and the unified supporting platform for the development of TCU is achieved by MDCS. 展开更多
关键词 dual CLUTCH transmission(DCT) dynamic PLAYBACK multi-domain simulation COLLABORATIVE simulation controller area network(CAN)
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Solving Strategy for Repetitious Simulation of Multi-domain Physical System Based on Modelica
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作者 JIANG Zhan-si WU Yi-zhong CHEN Li-ping 《Computer Aided Drafting,Design and Manufacturing》 2007年第2期58-70,共13页
Repetitious simulation after modifying parameters of multi-domain physical system based on Modelica often appears in model experiment and optimization design. At present, the solvers based on Modelica need calculate a... Repetitious simulation after modifying parameters of multi-domain physical system based on Modelica often appears in model experiment and optimization design. At present, the solvers based on Modelica need calculate all the coupled blocks during every simulation run after updating parameters. Based on discussing scale decomposition methods of simulation model, subdivision solving strategy and minimum solving strategy are put forward to improve the efficiency of repetitious simulation, by which the numerical solution of the simulation model can be achieved by only calculating the solving sequence influenced by altered parameters. A simplified model of aircraft is used to demonstrate the efficiency of the strategies presented. 展开更多
关键词 multi-domain physical system MODELICA simulation subdivision solving minimum solving strategy
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Large eddy simulation study of 3D wind field in a complex mountainous area under different boundary conditions 被引量:2
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作者 Yan LI Lei YAN Xuhui HE 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2024年第7期541-556,共16页
Large eddy simulations generally are used to predict 3D wind field characteristics in complex mountainous areas.Certain simulation boundary conditions,such as the height and length of the computational domain or the c... Large eddy simulations generally are used to predict 3D wind field characteristics in complex mountainous areas.Certain simulation boundary conditions,such as the height and length of the computational domain or the characteristics of inflow turbulence,can significantly impact the quality of predictions.In this study,we examined these boundary conditions within the context of the mountainous terrain around a long-span cable-stayed bridge using a wind tunnel experiment.Various sizes of computational domains and turbulent incoming wind velocities were used in large eddy simulations.The results show that when the height of the computational domain is five times greater than the height of the terrain model,there is minimal influence from the top wall on the wind field characteristics in this complex mountainous area.Expanding the length of the wake region of the computational domain has negligible effects on the wind fields.Turbulence in the inlet boundary reduces the length of the wake region on a leeward hill with a low slope,but has less impact on the mean wind velocity of steep hills. 展开更多
关键词 Large eddy simulation(LES) Spectral representation method Recycling method High mountainous canyon Wind characteristics Atmospheric boundary layer Computational domain
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Physics-based seismic analysis of ancient wood structure:fault-to-structure simulation 被引量:1
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作者 Ba Zhenning Fu Jisai +3 位作者 Wang Fangbo Liang Jianwen Zhang Bin Zhang Long 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2024年第3期727-740,共14页
Based on the domain reduction method,this study employs an SEM-FEM hybrid workflow which integrates the advantages of the spectral element method(SEM)for flexible and highly efficient simulation of seismic wave propag... Based on the domain reduction method,this study employs an SEM-FEM hybrid workflow which integrates the advantages of the spectral element method(SEM)for flexible and highly efficient simulation of seismic wave propagation in a three-dimensional(3D)regional-scale geophysics model and the finite element method(FEM)for fine simulation of structural response including soil-structure interaction,and performs a physics-based simulation from initial fault rupture on an ancient wood structure.After verification of the hybrid workflow,a large-scale model of an ancient wood structure in the Beijing area,The Tower of Buddhist Incense,is established and its responses under the 1665 Tongxian earthquake and the 1730 Yiheyuan earthquake are simulated.The results from the simulated ground motion and seismic response of the wood structure under the two earthquakes demonstrate that this hybrid workflow can be employed to efficiently provide insight into the relationships between geophysical parameters and the structural response,and is of great significance toward accurate input for seismic simulation of structures under specific site and fault conditions. 展开更多
关键词 spectral element method finite element method fault-to-structure simulation physical model domain reduction method
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Comparison of delay compensation methods for real-time hybrid simulation using frequency-domain evaluation index 被引量:3
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作者 Xu Weijie Guo Tong Chen Cheng 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2016年第1期129-143,共15页
The delay compensation method plays an essential role in maintaining the stability and achieving accurate real-time hybrid simulation results. The effectiveness of various compensation methods in different test scenar... The delay compensation method plays an essential role in maintaining the stability and achieving accurate real-time hybrid simulation results. The effectiveness of various compensation methods in different test scenarios, however, needs to be quantitatively evaluated. In this study, four compensation methods (i.e., the polynomial extrapolation, the linear acceleration extrapolation, the inverse compensation and the adaptive inverse compensation) are selected and compared experimentally using a frequency evaluation index (FEI) method. The effectiveness of the FEI method is first verified through comparison with the discrete transfer fimction approach for compensation methods assuming constant delay. Incomparable advantage is further demonstrated for the FEI method when applied to adaptive compensation methods, where the discrete transfer function approach is difficult to implement. Both numerical simulation and laboratory tests with predefined displacements are conducted using sinusoidal signals and random signals as inputs. Findings from numerical simulation and experimental results demonstrate that the FEI method is an efficient and effective approach to compare the performance of different compensation methods, especially for those requiring adaptation of compensation parameters. 展开更多
关键词 real-time hybrid simulation frequency domain evaluation index delay compensation methods
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Physics-informed neural network-based petroleum reservoir simulation with sparse data using domain decomposition 被引量:4
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作者 Jiang-Xia Han Liang Xue +4 位作者 Yun-Sheng Wei Ya-Dong Qi Jun-Lei Wang Yue-Tian Liu Yu-Qi Zhang 《Petroleum Science》 SCIE EI CAS CSCD 2023年第6期3450-3460,共11页
Recent advances in deep learning have expanded new possibilities for fluid flow simulation in petroleum reservoirs.However,the predominant approach in existing research is to train neural networks using high-fidelity ... Recent advances in deep learning have expanded new possibilities for fluid flow simulation in petroleum reservoirs.However,the predominant approach in existing research is to train neural networks using high-fidelity numerical simulation data.This presents a significant challenge because the sole source of authentic wellbore production data for training is sparse.In response to this challenge,this work introduces a novel architecture called physics-informed neural network based on domain decomposition(PINN-DD),aiming to effectively utilize the sparse production data of wells for reservoir simulation with large-scale systems.To harness the capabilities of physics-informed neural networks(PINNs)in handling small-scale spatial-temporal domain while addressing the challenges of large-scale systems with sparse labeled data,the computational domain is divided into two distinct sub-domains:the well-containing and the well-free sub-domain.Moreover,the two sub-domains and the interface are rigorously constrained by the governing equations,data matching,and boundary conditions.The accuracy of the proposed method is evaluated on two problems,and its performance is compared against state-of-the-art PINNs through numerical analysis as a benchmark.The results demonstrate the superiority of PINN-DD in handling large-scale reservoir simulation with limited data and show its potential to outperform conventional PINNs in such scenarios. 展开更多
关键词 Physical-informed neural networks Fluid flow simulation Sparse data domain decomposition
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Time-domain simulation for water wave radiation by floating structures (Part A) 被引量:3
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作者 徐刚 段文洋 《Journal of Marine Science and Application》 2008年第4期226-235,共10页
Direct time-domain simulation of floating structures has advantages:it can calculate wave pressure fields and forces directly; and it is useful for coupled analysis of floating structures with a mooring system. A time... Direct time-domain simulation of floating structures has advantages:it can calculate wave pressure fields and forces directly; and it is useful for coupled analysis of floating structures with a mooring system. A time-domain boundary integral equation method is presented to simulate three-dimensional water wave radiation problems. A stable form of the integration free-surface boundary condition (IFBC) is used to update velocity potentials on the free surface. A multi-transmitting formula (MTF) method with an artificial speed is introduced to the artificial radiation boundary (ARB). The method was applied to simulate a semi-spherical liquefied natural gas (LNG) carrier and a semi-submersible undergoing specified harmonic motion. Numerical parameters such as the form of the ARB, and the time and space discretization related to this method are discussed. It was found that a good agreement can be obtained when artificial speed is between 0.6 and 1.6 times the phase velocity of water waves in the MTF method. A simulation can be done for a long period of time by this method without problems of instability, and the method is also accurate and computationally efficient. 展开更多
关键词 time domain simulation floating body IFBC MTF ARB
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Time Domain Simulation of a One Line Failure for a DP-assisted Mooring System 被引量:4
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作者 Jianxun Zhu Liping Sun Shengnan Liu Jichuang Kang 《Journal of Marine Science and Application》 2014年第3期321-326,共6页
This paper focuses on the research of a semi-submersible platform equipped with a DP-assisted mooring system. Based on the working principles of the DP-assisted mooring system and the model of the platform motion, a t... This paper focuses on the research of a semi-submersible platform equipped with a DP-assisted mooring system. Based on the working principles of the DP-assisted mooring system and the model of the platform motion, a time domain simulation program is applied to analyze the impact, in the case of one line failure, on the platform motion, power consumption of the thrusters and the tension of the mooring lines. The results show that, under the 10-year wind dominant, a one line failure will have little impact on the tension of the mooring lines. When the failure line is windward, the power consumption will increase greatly with a weakened position of accuracy. However when the failure line is leeward, the power consumption will be reduced with a partly strengthened oosition of accuracy. 展开更多
关键词 DP-assisted mooring system time domain simulation one line failure semi-submersible platform.
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Finite difference time domain method forward simulation of complex geoelectricity ground penetrating radar model 被引量:5
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作者 戴前伟 冯德山 何继善 《Journal of Central South University of Technology》 EI 2005年第4期478-482,共5页
The ground penetrating radar(GPR) forward simulation all aims at the singular and regular models, such as sandwich model, round cavity, square cavity, and so on, which are comparably simple. But as to the forward of c... The ground penetrating radar(GPR) forward simulation all aims at the singular and regular models, such as sandwich model, round cavity, square cavity, and so on, which are comparably simple. But as to the forward of curl interface underground or “v” figure complex model, it is difficult to realize. So it is important to forward the complex geoelectricity model. This paper takes two Maxwell’s vorticity equations as departure point, makes use of the principles of Yee’s space grid model theory and the basic principle finite difference time domain method, and deduces a GPR forward system of equation of two dimensional spaces. The Mur super absorbed boundary condition is adopted to solve the super strong reflection on the interceptive boundary when there is the forward simulation. And a self-made program is used to process forward simulation to two typical geoelectricity model. 展开更多
关键词 ground penetrating radar finite difference time domain method forward simulation ideal frequency dispersion relationship
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Phase field simulation of the 180°domain-switching process in PbTiO_3 single crystal under an antiparallel electric field 被引量:1
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作者 Ping-Li Liu Wu-Yang Chu Li-Jie Qiao 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2010年第4期494-499,共6页
The process of 180°domain switching in PbTiO_3 single crystal under an antiparallel electric field was investigated by the three-dimensional phase field simulation,especially the effect of electric field on the t... The process of 180°domain switching in PbTiO_3 single crystal under an antiparallel electric field was investigated by the three-dimensional phase field simulation,especially the effect of electric field on the type and duration of domain switching.It is found that the polarization reversal of domains takes place under an antiparallel electric field in PbTiO_3 single crystal.The results of the phase field simulation indicate that there is only 90°domain switching under a weak electric field.With the rise of the electric field,180°domain switching appears.If the electric field is strengthened further,90°domain switching disappears and the duration of domain switching is shortened. 展开更多
关键词 phase field simulation ferroelectric materials electric field domain switching
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Molecular dynamics simulation of the interactions between EHD1 EH domain and multiple peptides 被引量:1
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作者 Hua YU Mao-jun WANG +2 位作者 Nan-xia XUAN Zhi-cai SHANG Jun WU 《Journal of Zhejiang University-Science B(Biomedicine & Biotechnology)》 SCIE CAS CSCD 2015年第10期883-896,共14页
Objective: To provide essential information for peptide inhibitor design, the interactions of Eps15 homology domain of Eps15 homology domain-containing protein 1 (EHD1 EH domain) with three peptides containing NPF ... Objective: To provide essential information for peptide inhibitor design, the interactions of Eps15 homology domain of Eps15 homology domain-containing protein 1 (EHD1 EH domain) with three peptides containing NPF (asparagine-proline-phenylalanine), DPF (aspartic acid-proline-phenylalanine), and GPF (glycine-proline-phenylalanine) motifs were deciphered at the atomic level. The binding affinities and the underlying structure basis were investigated. Methods: Molecular dynamics (MD) simulations were performed on EHD1 EH domain/peptide complexes for 60 ns using the GROMACS package. The binding free energies were calculated and decomposed by molecular mechanics/ generalized Born surface area (MM/GBSA) method using the AMBER package. The alanine scanning was performed to evaluate the binding hot spot residues using FoldX software. Results: The different binding affinities for the three peptides were affected dominantly by van der Waals interactions. Intermolecular hydrogen bonds provide the struc- tural basis of contributions of van der Waals interactions of the flanking residues to the binding. Conclusions: van der Waals interactions should be the main consideration when we design peptide inhibitors of EHD1 EH domain with high affinities. The ability to form intermolecular hydrogen bonds with protein residues can be used as the factor for choosing the flanking residues. 展开更多
关键词 Binding affinity EHD1 EH domain Molecular dynamics simulation Inhibitor design PEPTIDE
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Time-Domain Simulation for Coupled Motions of Three Barges Moored Side-by-Side in Floatover Operation 被引量:12
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作者 许鑫 杨建民 +1 位作者 李欣 徐亮瑜 《China Ocean Engineering》 SCIE EI CSCD 2015年第2期155-168,共14页
Simulating the coupled motions of multiple bodies in the time domain is a complex problem because of the strong hydrodynamic interactions and coupled effect of various mechanical connectors. In this study, we investig... Simulating the coupled motions of multiple bodies in the time domain is a complex problem because of the strong hydrodynamic interactions and coupled effect of various mechanical connectors. In this study, we investigate the hydrodynamic responses of three barges moored side-by-side in a floatover operation in the frequency and time domains. In the frequency domain, the damping lid method is adopted to improve the overestimated hydrodynamic coefficients calculated from conventional potential flow theory. A time-domain computing program based on potential flow theory and impulse theory is compiled for analyses that consider multibody hydrodynamic interactions and mechanical effects from lines and fenders. Correspondingly, an experiment is carried out for comparison with the numerical results. All statistics, time series, and power density spectra from decay and irregular wave tests are in a fairly good agreement. 展开更多
关键词 coupled motion time-domain simulation side-by-side floatover
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Numerical Simulation of a Domain-Tessellation Pattern on a Spherical Surface Using a Phase Field Model 被引量:1
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作者 Takuya Uehara 《Open Journal of Modelling and Simulation》 2016年第2期24-33,共10页
A numerical simulation scheme is proposed to analyze domain tessellation and pattern formation on a spherical surface using the phase-field method. A multi-phase-field model is adopted to represent domain growth, and ... A numerical simulation scheme is proposed to analyze domain tessellation and pattern formation on a spherical surface using the phase-field method. A multi-phase-field model is adopted to represent domain growth, and the finite-difference method (FDM) is used for numerical integration. The lattice points for the FDM are distributed regularly on a spherical surface so that a mostly regular triangular domain division is realized. First, a conventional diffusion process is simulated using this lattice to confirm its validity. The multi-phase-field equation is then applied, and pattern formation processes under various initial conditions are simulated. Unlike pattern formation on a flat plane, where the regular hexagonal domains are always stable, certain different patterns are generated. Specifically, characteristic stable patterns are obtained when the number of domains, n, is 6, 8, or 12;for instance, a regular pentagonal domain division pattern is generated for n = 12, which corresponds to a regular dodecahedron. 展开更多
关键词 Pattern Formation domain Tessellation Computer simulation Phase Field Method
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Domain ontology driven composable simulation framework
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作者 陈欣 段枫 张英潮 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 2012年第4期49-54,共6页
The simulation composability is one of important development directions in simulation domain. The key issue is the semantic composability. Currently there is no feasible approach to realize the effective semantic repr... The simulation composability is one of important development directions in simulation domain. The key issue is the semantic composability. Currently there is no feasible approach to realize the effective semantic representation and composition of simulation components. Based on domain knowledge and Web Ontology Language (OWL), this paper proposes a composable simulation framework, which includes conceptual model semantics, model components semantics, model framework semantics, and simulation scenario semantics. Additionally, all the semantics are utilized in the model components development process, the simulation system development process, and the simulation system execution process respectively. The consistency checking among those semantics is also proposed. The detailed mapping processes between different semantic models can help to build the domain ontology driven composable simulation system. 展开更多
关键词 domain ontology COMPOSABILITY simulation components conceptual model simulation scenario
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Some of Advances on the Error Analysis in the Frequency Domain for a Digital Simulation Model
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作者 Fei, Jinggao 《Journal of Systems Engineering and Electronics》 SCIE EI CSCD 1994年第3期2-19,共18页
This paper surveys a number of recent advances in the error analysis in the frequency domain for a digital simulation model. It is emphasized to discuss the errors in characteristic roots and transfer funcnon of the d... This paper surveys a number of recent advances in the error analysis in the frequency domain for a digital simulation model. It is emphasized to discuss the errors in characteristic roots and transfer funcnon of the digital simulation model, the frequency domain errors of the data transfers between thesimulation submodels, and some compensation methods for the errors. Some of the questions to be answered are also presented. 展开更多
关键词 Digital simulation MODEL Frequency domain Error analysis.
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A study of the lipid-mediated dimerization of the RAGE TM+JM domains by molecular dynamic simulations
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作者 Jialin Chen Fude Sun +3 位作者 Peng Chen Mengya Chai Lida Xu Shi-Zhong Luo 《Chinese Chemical Letters》 SCIE CAS CSCD 2018年第7期1151-1154,共4页
Receptor for Advanced Glycation End-products(RAGE) binds to a number of ligand families to display important roles in hyperglycemia, senescence, inflammation, neurodegeneration and cancer. It is reported that RAGE reg... Receptor for Advanced Glycation End-products(RAGE) binds to a number of ligand families to display important roles in hyperglycemia, senescence, inflammation, neurodegeneration and cancer. It is reported that RAGE regulates the related biological processes via homo-dimerization by the transmembrane(TM) domain, and evidence further shows that the intracellular domain of RAGE has an influence on the dimerization activity of RAGE. In this study, we explored the underlying interaction mechanism of RAGE TM domains by multiscale coarse-grained(CG) dynamic simulations. Two switching packing modes of the TM dimeric conformations were observed. Through a series of site-directed mutations, we further emphasized the key roles of the A342xxxG346xxG349xxxT353xxL356xxxV360motif in the left-handed configuration and the L345xxxG349xxG352xxxL356motif in the right-handed configuration. In addition, we revealed that the juxtamembrane(JM) domain within JM-A375 can determine the RAGE TM dimeric structure. Overall, we provide the molecular insights into the switching dimerization of RAGE TM domains, as well as the regulation from the JM domains mediated by the anionic lipids. 展开更多
关键词 RAGE DIMERIZATION TM+JM domains Lipid Regulation Coarse-grained simulations
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Parallel Simulation of 3D Wave Propagation by Domain Decomposition
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作者 Galina Reshetova Vladimir Tcheverda Dmitry Vishnevsky 《Journal of Applied Mathematics and Physics》 2013年第4期6-11,共6页
In order to perform large scale numerical simulation of wave propagation in 3D heterogeneous multiscale viscoelastic media, Finite Difference technique and its parallel implementation based on domain decomposition is ... In order to perform large scale numerical simulation of wave propagation in 3D heterogeneous multiscale viscoelastic media, Finite Difference technique and its parallel implementation based on domain decomposition is used. A couple of typical statements of borehole geophysics are dealt with—sonic log and cross well measurements. Both of them are essentially multiscales, which claims to take into account heterogeneities of very different sizes in order to provide reliable results of simulations. Locally refined spatial grids help us to avoid the use of redundantly tiny grid cells in a target area, but cause some troubles with uniform load of Processor Units involved in computations. We present results of scalability tests together with results of numerical simulations for both statements performed for some realistic models. 展开更多
关键词 SEISMIC Wave PROPAGATION Sonic LOG NUMERICAL simulation domain DECOMPOSITION
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MD Simulations of the P53 oncoprotein structure: the effect of the Arg273→His mutation on the DNA binding domain
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作者 Kholmirzo Kholmurodov Ermuhammad Dushanov Kenji Yasuoka 《Advances in Bioscience and Biotechnology》 2011年第5期330-335,共6页
A comparative molecular dynamics (MD) simulation study was performed on the p53 oncoprotein to investigate the effect of the Arg273His (R273H) mutation on the p53→DNA Binding Domain (DBD). The two p53 dimer structure... A comparative molecular dynamics (MD) simulation study was performed on the p53 oncoprotein to investigate the effect of the Arg273His (R273H) mutation on the p53→DNA Binding Domain (DBD). The two p53 dimer structures of the wild-type and mutant Arg273His (R273H) were simulated with the same thermodynamic and environmental parameters. The obtained results demonstrate that the induced Arg273His mutation has a considerable effect on the p53→DNA close contact interaction and changes the picture of hydrogen formation. The Arg273His mutation, in some cases, destroys the existing native hydrogen bond, but, in other cases, forms a strong p53→DNA hydrogen bond, which is not proper for the native protein. The MD simulation results illustrate some molecular mechanism of the conformational changes of the Arg273His key amino acid residue in the p53→DNA binding domain, which might be important for the understanding of the physiological functioning of the p53 protein and the origin of cancer. 展开更多
关键词 Molecular Dynamics simulations P53 ONCOPROTEIN EFFECT of the R273H MUTATION DNA BINDING domain
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