COMPUTATIONAL experiments method is an essential tool for analyzing,designing,managing,and integrating complex systems.However,a significant challenge arises in constructing agents with human-like characteristics to f...COMPUTATIONAL experiments method is an essential tool for analyzing,designing,managing,and integrating complex systems.However,a significant challenge arises in constructing agents with human-like characteristics to form an AI society.Agent modeling typically encompasses four levels:1)The autonomy features of agents,e.g.,perception,behavior,and decision-making;2)The evolutionary features of agents,e.g.,bounded rationality,heterogeneity,and learning evolution;3)The social features of agents,e.g.,interaction,cooperation,and competition;4)The emergent features of agents,e.g.,gaming with environments or regulatory strategies.Traditional modeling techniques primarily derive from ABMs(Agent-based Models)and incorporate various emerging technologies(e.g.,machine learning,big data,and social networks),which can enhance modeling capabilities,while amplifying the complexity[1].展开更多
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Large-scale,fine,and efficient numerical simulation of a geothermal field plays an important role in geothermal energy development.Confronted with the problem of large computation and high storage requirements for com...Large-scale,fine,and efficient numerical simulation of a geothermal field plays an important role in geothermal energy development.Confronted with the problem of large computation and high storage requirements for complex underground models in a three-dimensional(3-D)numerical simulation of a geothermal fi eld,a mixed space-wavenumber domain 3-D numerical simulation algorithm is proposed in this paper.According to the superposition principle of temperature field,the geothermal field is decomposed into background and abnormal temperature fi elds for calculation.The uniform layered model is used to solve the background field.When the abnormal field is solved,the horizontal two-dimensional(2-D)Fourier transform is used to transform the 3-D diff erential equation satisfi ed by an abnormal field into a series of one-dimensional ordinary differential equations with diff erent wavenumbers,which greatly reduces the calculation and storage.The unit division of an ordinary diff erential equation is fl exible,and the calculation amount is small.The algorithm fully takes advantage of the effi ciency of the Fourier transform and the quickness of the catch-up method to solve linear equations with a fixed bandwidth,which effectively improves the computational efficiency.Compared with the COMSOL Multiphysics professional simulation finite element software,the time consumption and memory requirements of the algorithm proposed in this paper are reduced by multiple orders of magnitude in terms of ensuring accuracy and the same mesh division.The more the number of calculated nodes is,the more obvious is the advantage.We design models to study the thermal conductivity,heat fl ux boundary,regional tectonic morphology,and topographic relief of the geothermal fi eld distribution.A 3-D geophysical model is developed based on topographic elevation data,geothermal geology,and geophysical exploration data in the Qiabuqia area of Gonghe Basin,Qinghai Province,China.Numerical simulation of the geothermal fi eld in this area is realized,which shows that the algorithm is suitable for precise and effi cient simulation of an arbitrary complex terrain and geological conditions.展开更多
Based on a simplified domain rotation model, the rotation path of internal domains and cor- responding magnetostriction of <112>, <111> oriented single Tedenol-D crystals under com- pressive prestresses ha...Based on a simplified domain rotation model, the rotation path of internal domains and cor- responding magnetostriction of <112>, <111> oriented single Tedenol-D crystals under com- pressive prestresses have been simulated. Comparisons with results of experiment and other calculation have been made. Results of simulation showed that the <111> oriented single crystal has better low-field magnetostriction properties than the <112> oriented one. Under a compressive prestress of 10 MPa, up to 2300×10-6 saturation magnetostriction of <111> oriented crystal has been obtained at 800 Oe, while for <112> oriented. 1600×10-6 maximum magnetostriction has been reached at 1000 Oe.展开更多
This study presents the deduction of time domain mathematical equations to simulate the curve of the charging process of a symmetrical electrochemical supercapacitor with activated carbon electrodes fed by a source of...This study presents the deduction of time domain mathematical equations to simulate the curve of the charging process of a symmetrical electrochemical supercapacitor with activated carbon electrodes fed by a source of constant electric potential in time ε and the curve of the discharge process through two fixed resistors. The first resistor R<sub>Co</sub> is a control that aims to prevent sudden variations in the intensity of the electric current i<sub>1</sub>(t) present at the terminals of the electrochemical supercapacitor at the beginning of the charging process. The second resistor is the internal resistance R<sub>A</sub> of the ammeter used in the calculation of the intensity of the electric current i<sub>1</sub>(t) over time in the charging and discharging processes. The mathematical equations generated were based on a 2R(C + kU<sub>C</sub>(t)) electrical circuit model and allowed to simulate the effects of the potential-dependent capacitance (kU<sub>C</sub>(t)) on the charge and discharge curves and hence on the calculated values of the fixed capacitance C, the equivalent series resistance (ESR), the equivalent parallel resistance (EPR) and the electrical potential dependent capacitance index k.展开更多
基金supported in part by National Key Research and Development Program of China(2021YFF0900800)National Natural Science Foundation of China(62472306,62441221,62206116)+2 种基金Tianjin University’s 2024 Special Project on Disciplinary Development(XKJS-2024-5-9)Tianjin University Talent Innovation Reward Program for Literature&Science Graduate Student(C1-2022-010)Shanxi Province Social Science Foundation(2020F002).
文摘COMPUTATIONAL experiments method is an essential tool for analyzing,designing,managing,and integrating complex systems.However,a significant challenge arises in constructing agents with human-like characteristics to form an AI society.Agent modeling typically encompasses four levels:1)The autonomy features of agents,e.g.,perception,behavior,and decision-making;2)The evolutionary features of agents,e.g.,bounded rationality,heterogeneity,and learning evolution;3)The social features of agents,e.g.,interaction,cooperation,and competition;4)The emergent features of agents,e.g.,gaming with environments or regulatory strategies.Traditional modeling techniques primarily derive from ABMs(Agent-based Models)and incorporate various emerging technologies(e.g.,machine learning,big data,and social networks),which can enhance modeling capabilities,while amplifying the complexity[1].
基金National Natural Science Foundation of China under Grant No.51378107the Fundamental Research Funds for the Central Universities and Priority Academic Program Development of Jiangsu Higher Education Institutions under Grant No.KYLX-0158the National Natural Science Foundation under Grant No.CMMI-1227962
文摘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.
基金funded by the National Natural Science Foundation of China(Grant No.52274048)Beijing Natural Science Foundation(Grant No.3222037)+1 种基金the CNPC 14th Five-Year Perspective Fundamental Research Project(Grant No.2021DJ2104)the Science Foundation of China University of Petroleum-Beijing(No.2462021YXZZ010).
文摘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.
基金Supported by the National Natural Science Foundation of China under Grant No.10572041,50779008 and the 111 Project
文摘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.
基金Suppirted by the Programme of Introducing Talents of Discipline to Universities(B07019)
文摘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.
文摘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.
基金supported by the National Natural Science Foundation of China(Nos.50572006 and 50632010)
文摘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.
基金supported by the National Natural Science Foundation of China(Grant Nos.52271278 and 52111530137)the Natural Science Found of Jiangsu Province(Grant No.BK20221389)the Newton Advanced Fellowships(Grant No.NAF\R1\180304)by the Royal Society.
文摘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.
基金supported by the National Natural Science Foundation of China(Nos.11172259 and 31471807)the Special Fund for Agro-scientific Research in the Public Interest(No.201403030),China
文摘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.
基金supported by National Natural Science Foundation of China(Grant Nos.51075259,51121063,51305256)National Basic Research Program of China(973 Program,Grant No.2006CB705400)
文摘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.
基金financially supported by Lloyd’s Register Foundation(LRF),a UK-registered charity and sole shareholder of Lloyd’s Register Group Ltd.the Youth Innovation Fund of State Key Laboratory of Ocean Engineering(Grant No.GKZD010059-21)
文摘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.
文摘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.
文摘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.
文摘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.
基金supported by the National Natural Science Foundation of China (Nos. 21672019, 21372026, 21402006)the Fundamental Research Funds for the Central Universities (No. XK1701)partly supported by CHEMCLOUDCOMPUTING
文摘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.
文摘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.
文摘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.
基金supported by National Natural Science Foundation of China(No.41574127,42174080)Innovation research team project of Guangxi Natural Science Foundation(No.GXNSFGA380004)Central South University independent exploration and innovation project for Postgraduates(Nos.2021zzts0831,2021zzts0271)
文摘Large-scale,fine,and efficient numerical simulation of a geothermal field plays an important role in geothermal energy development.Confronted with the problem of large computation and high storage requirements for complex underground models in a three-dimensional(3-D)numerical simulation of a geothermal fi eld,a mixed space-wavenumber domain 3-D numerical simulation algorithm is proposed in this paper.According to the superposition principle of temperature field,the geothermal field is decomposed into background and abnormal temperature fi elds for calculation.The uniform layered model is used to solve the background field.When the abnormal field is solved,the horizontal two-dimensional(2-D)Fourier transform is used to transform the 3-D diff erential equation satisfi ed by an abnormal field into a series of one-dimensional ordinary differential equations with diff erent wavenumbers,which greatly reduces the calculation and storage.The unit division of an ordinary diff erential equation is fl exible,and the calculation amount is small.The algorithm fully takes advantage of the effi ciency of the Fourier transform and the quickness of the catch-up method to solve linear equations with a fixed bandwidth,which effectively improves the computational efficiency.Compared with the COMSOL Multiphysics professional simulation finite element software,the time consumption and memory requirements of the algorithm proposed in this paper are reduced by multiple orders of magnitude in terms of ensuring accuracy and the same mesh division.The more the number of calculated nodes is,the more obvious is the advantage.We design models to study the thermal conductivity,heat fl ux boundary,regional tectonic morphology,and topographic relief of the geothermal fi eld distribution.A 3-D geophysical model is developed based on topographic elevation data,geothermal geology,and geophysical exploration data in the Qiabuqia area of Gonghe Basin,Qinghai Province,China.Numerical simulation of the geothermal fi eld in this area is realized,which shows that the algorithm is suitable for precise and effi cient simulation of an arbitrary complex terrain and geological conditions.
文摘Based on a simplified domain rotation model, the rotation path of internal domains and cor- responding magnetostriction of <112>, <111> oriented single Tedenol-D crystals under com- pressive prestresses have been simulated. Comparisons with results of experiment and other calculation have been made. Results of simulation showed that the <111> oriented single crystal has better low-field magnetostriction properties than the <112> oriented one. Under a compressive prestress of 10 MPa, up to 2300×10-6 saturation magnetostriction of <111> oriented crystal has been obtained at 800 Oe, while for <112> oriented. 1600×10-6 maximum magnetostriction has been reached at 1000 Oe.
文摘This study presents the deduction of time domain mathematical equations to simulate the curve of the charging process of a symmetrical electrochemical supercapacitor with activated carbon electrodes fed by a source of constant electric potential in time ε and the curve of the discharge process through two fixed resistors. The first resistor R<sub>Co</sub> is a control that aims to prevent sudden variations in the intensity of the electric current i<sub>1</sub>(t) present at the terminals of the electrochemical supercapacitor at the beginning of the charging process. The second resistor is the internal resistance R<sub>A</sub> of the ammeter used in the calculation of the intensity of the electric current i<sub>1</sub>(t) over time in the charging and discharging processes. The mathematical equations generated were based on a 2R(C + kU<sub>C</sub>(t)) electrical circuit model and allowed to simulate the effects of the potential-dependent capacitance (kU<sub>C</sub>(t)) on the charge and discharge curves and hence on the calculated values of the fixed capacitance C, the equivalent series resistance (ESR), the equivalent parallel resistance (EPR) and the electrical potential dependent capacitance index k.
