The vehicle-road coupling dynamics problem is a prominent issue in transportation,drawing significant attention in recent years.These dynamic equations are characterized by high-dimensionality,coupling,and time-varyin...The vehicle-road coupling dynamics problem is a prominent issue in transportation,drawing significant attention in recent years.These dynamic equations are characterized by high-dimensionality,coupling,and time-varying dynamics,making the exact solutions challenging to obtain.As a result,numerical integration methods are typically employed.However,conventional methods often suffer from low computational efficiency.To address this,this paper explores the application of the parameter freezing precise exponential integrator to vehicle-road coupling models.The model accounts for road roughness irregularities,incorporating all terms unrelated to the linear part into the algorithm's inhomogeneous vector.The general construction process of the algorithm is detailed.The validity of numerical results is verified through approximate analytical solutions(AASs),and the advantages of this method over traditional numerical integration methods are demonstrated.Multiple parameter freezing precise exponential integrator schemes are constructed based on the Runge-Kutta framework,with the fourth-order four-stage scheme identified as the optimal one.The study indicates that this method can quickly and accurately capture the dynamic system's vibration response,offering a new,efficient approach for numerical studies of high-dimensional vehicle-road coupling systems.展开更多
In this work,we propose a low-regularity Fourier integrator with almost mass conservation to solve the Davey-StewartsonⅡsystem(hyperbolic-elliptic case).Arbitrary order mass convergence could be achieved by the suita...In this work,we propose a low-regularity Fourier integrator with almost mass conservation to solve the Davey-StewartsonⅡsystem(hyperbolic-elliptic case).Arbitrary order mass convergence could be achieved by the suitable addition of correction terms,while keeping the first order accuracy in H~γ×H^(γ+1)for initial data in H^(γ+1)×H^(γ+1)withγ>1.The main theorem is that,up to some fixed time T,there exist constantsτ_(0)and C depending only on T and‖u‖_(L^(∞)((0,T);H^(γ+1)))such that,for any 0<τ≤τ_(0),we have that‖u(t_(n),·)-u^(n)‖H_γ≤C_(τ),‖v(t_(n),·)-v^(n)‖_(Hγ+1)≤C_(τ),where u^(n)and v^(n)denote the numerical solutions at t_(n)=nτ.Moreover,the mass of the numerical solution M(u^(n))satisfies that|M(u^(n))-M(u_0)|≤Cτ~5.展开更多
Simulations of contact problems involving at least one plastic solid may be costly due to their strong nonlinearity and requirements of stability.In this work,we develop an explicit asynchronous variational integrator...Simulations of contact problems involving at least one plastic solid may be costly due to their strong nonlinearity and requirements of stability.In this work,we develop an explicit asynchronous variational integrator(AVI)for inelastic non-frictional contact problems involving a plastic solid.The AVI assigns each element in the mesh an independent time step and updates the solution at the elements and nodes asynchronously.This asynchrony makes the AVI highly efficient in solving such bi-material problems.Taking advantage of the AVI,the constitutive update is locally performed in one element at a time,and contact constraints are also enforced on only one element.The time step of the contact element is subdivided into multiple segments,and the fields are updated accordingly.During a contact event,only one element involving a few degrees of freedom is considered,leading to high efficiency.The proposed formulation is first verified with a pure elastodynamics benchmark and further applied to a contact problem involving an elastoplastic solid with non-associative volumetric hardening.The numerical results indicate that the AVI exhibits excellent energy behaviors and has high computational efficiency.展开更多
Integrator processes with long delay are difficult to control. Nonlinear characteristics of actuators make the control problem more challenging. A technique is proposed in this paper for global satisfactory control （...Integrator processes with long delay are difficult to control. Nonlinear characteristics of actuators make the control problem more challenging. A technique is proposed in this paper for global satisfactory control （GSC） of such processes with relay-type nonlinearity. An oscillatory control signal is injected into the nonlinear process; the amplitude and frequency of the oscillatory signal are designed to linearise the nonlinear process in the sense of harmonic analysis; and a state feedback controller is configured to implement GSC over the linearised process. An illustrative example is given to demonstrate the effectiveness of展开更多
In this paper, a distributed control scheme has been developed for consensus of single integrator multi-agent systems with directed fixed communication topology for arbitrarily large constant, time-varying or distribu...In this paper, a distributed control scheme has been developed for consensus of single integrator multi-agent systems with directed fixed communication topology for arbitrarily large constant, time-varying or distributed communication delays. It is proved that the closed loop control system can reach consensus with an exponential convergence rate if and only if the topology is quasi-strongly connected. Simulation results are also provided to demonstrate the effectiveness of the proposed controller.展开更多
The variational integrators of autonomous Birkhoff systems are obtained by the discrete variational principle. The geometric structure of the discrete autonomous Birkhoff system is formulated. The discretization of ma...The variational integrators of autonomous Birkhoff systems are obtained by the discrete variational principle. The geometric structure of the discrete autonomous Birkhoff system is formulated. The discretization of mathematical pendulum shows that the discrete variational method is as effective as symplectic scheme for the autonomous Birkhoff systems.展开更多
This paper studies a distributed optimal consensus problem for multiple double integrators under bounded velocity and acceleration. Assigned with an in dividual and private convex cost which is dependent on the positi...This paper studies a distributed optimal consensus problem for multiple double integrators under bounded velocity and acceleration. Assigned with an in dividual and private convex cost which is dependent on the position, each age nt n eeds to achieve consensus at the optimum of the aggregate cost under bounded velocity and acceleration. Based on relative positions and velocities to neighbor agents, we design a distributed control law by including the integration feedback of position and velocity errors. By employing quadratic Lyapunov functions, we solve the optimal consensus problem of double-integrators when the fixed topology is strongly connected and weight-balanced. Furthermore, if an initial estimate of the optimum can be known, then control gains can be properly selected to achieve an exponentially fast convergence under bounded velocity and acceleration. The result still holds when the relative velocity is not available, and we also discuss an extension for heterogeneous Euler-Lagrange systems by in verse dynamics control. A nu meric example is provided to illustrate the result.展开更多
The Chebyshev spectral variational integrator(CSVI) is presented in this paper. Spectral methods have aroused great interest in approximating numerically a smooth problem for their attractive geometric convergence rat...The Chebyshev spectral variational integrator(CSVI) is presented in this paper. Spectral methods have aroused great interest in approximating numerically a smooth problem for their attractive geometric convergence rates. The geometric numerical methods are praised for their excellent long-time geometric structure-preserving properties.According to the generalized Galerkin framework, we combine two methods together to construct a variational integrator, which captures the merits of both methods. Since the interpolating points of the variational integrator are chosen as the Chebyshev points,the integration of Lagrangian can be approximated by the Clenshaw-Curtis quadrature rule, and the barycentric Lagrange interpolation is presented to substitute for the classic Lagrange interpolation in the approximation of configuration variables and the corresponding derivatives. The numerical float errors of the first-order spectral differentiation matrix can be alleviated by using a trigonometric identity especially when the number of Chebyshev points is large. Furthermore, the spectral variational integrator(SVI) constructed by the Gauss-Legendre quadrature rule and the multi-interval spectral method are carried out to compare with the CSVI, and the interesting kink phenomena for the Clenshaw-Curtis quadrature rule are discovered. The numerical results reveal that the CSVI has an advantage on the computing time over the whole progress and a higher accuracy than the SVI before the kink position. The effectiveness of the proposed method is demonstrated and verified perfectly through the numerical simulations for several classical mechanics examples and the orbital propagation for the planet systems and the Solar system.展开更多
A boxcar integrator is described which is suitable for the low-repetition-rate signal processing. This boxcar integrator, named fixed-interval mode boxcar integrator, is able to reject harmonics other than the first h...A boxcar integrator is described which is suitable for the low-repetition-rate signal processing. This boxcar integrator, named fixed-interval mode boxcar integrator, is able to reject harmonics other than the first harmonic component. It can also decrease the effective time constant In many situations, the antialiasing filter with narrow bandwidth will cause distortion of the input signal. The fixed-interval mode boxcar integrator with suitable gate width can achieve relative high performance without signal distortion because the bandwidth of its antialiasing filter can be wider than that in the fixed-Point boxcar integrator. ms boxcar integrator is used as majn part of signalprocessing circult in the low resisance measurement of inductive load coil. The results of experiments show that the fixed-interval boxcar integrator is suitable for low-repetition-rate use.展开更多
A discrete total variation calculus with variable time steps is presented for mechanico-electrical systems where there exist non-potential and dissipative forces. By using this discrete variation calculus, the symplec...A discrete total variation calculus with variable time steps is presented for mechanico-electrical systems where there exist non-potential and dissipative forces. By using this discrete variation calculus, the symplectic-energy-first integrators for mechanico-electrical systems are derived. To do this, the time step adaptation is employed. The discrete variational principle and the Euler-Lagrange equation are derived for the systems. By using this discrete algorithm it is shown that mechanico-electrical systems are not symplectic and their energies are not conserved unless they are Lagrange mechanico-electrical systems. A practical example is presented to illustrate these results.展开更多
Accurate and efficient integration of the equations of motion is indispensable for molecular dynamics(MD)simulations.Despite the massive use of the conventional leapfrog(LF)integrator in modern computational tools wit...Accurate and efficient integration of the equations of motion is indispensable for molecular dynamics(MD)simulations.Despite the massive use of the conventional leapfrog(LF)integrator in modern computational tools within the framework of MD propagation,further development for better performance is still possible.The alternative version of LF in the middle thermostat scheme(LFmiddle)achieves a higher order of accuracy and efficiency and maintains stable dynamics even with the integration time stepsize extended by several folds.In this work,we perform a benchmark test of the two integrators(LF and LF-middle)in extensive conventional and enhanced sampling simulations,aiming at quantifying the time-stepsizeinduced variations of global properties(e.g.,detailed potential energy terms)as well as of local observables(e.g.,free energy changes or bondlengths)in practical simulations of complex systems.The test set is composed of six chemically and biologically relevant systems,including the conformational change of dihedral flipping in the N-methylacetamide and an AT(AdenineThymine)tract,the intra-molecular proton transfer inside malonaldehyde,the binding free energy calculations of benzene and phenol targeting T4 lysozyme L99A,the hydroxyl bond variations in ethaline deep eutectic solvent,and the potential energy of the blue-light using flavin photoreceptor.It is observed that the time-step-induced error is smaller for the LFmiddle scheme.The outperformance of LF-middle over the conventional LF integrator is much more significant for global properties than local observables.Overall,the current work demonstrates that the LF-middle scheme should be preferably applied to obtain accurate thermodynamics in the simulation of practical chemical and biological systems.展开更多
In this paper, we used an interpolation function with strong trigonometric components to derive a numerical integrator that can be used for solving first order initial value problems in ordinary differential equation....In this paper, we used an interpolation function with strong trigonometric components to derive a numerical integrator that can be used for solving first order initial value problems in ordinary differential equation. This numerical integrator has been tested for desirable qualities like stability, convergence and consistency. The discrete models have been used for a numerical experiment which makes us conclude that the schemes are suitable for the solution of first order ordinary differential equation.展开更多
We derive a new multisymplectic integrator for the Kawahara-type equation which is a fully explicit scheme and thus needs less computation cost. Multisympecticity of such scheme guarantees the long-time numerical beha...We derive a new multisymplectic integrator for the Kawahara-type equation which is a fully explicit scheme and thus needs less computation cost. Multisympecticity of such scheme guarantees the long-time numerical behaviors. Nu- merical experiments are presented to verify the accuracy of this scheme as well as the excellent performance on invariant preservation for three kinds of Kawahara-type equations.展开更多
This paper develops a new approach to construct variational integrators. A simplified unconventional Hamilton＇s variational principle corresponding to initial value problems is proposed, which is convenient for appli...This paper develops a new approach to construct variational integrators. A simplified unconventional Hamilton＇s variational principle corresponding to initial value problems is proposed, which is convenient for applications. The displacement and mo- mentum are approximated with the same Lagrange interpolation. After the numerical integration and variational operation, the original problems are expressed as algebraic equations with the displacement and momentum at the interpolation points as unknown variables. Some particular variational integrators are derived. An optimal scheme of choosing initial values for the Newton-Raphson method is presented for the nonlinear dynamic system. In addition, specific examples show that the proposed integrators are symplectic when the interpolation point coincides with the numerical integration point, and both are Gaussian quadrature points. Meanwhile, compared with the same order symplectic Runge-Kutta methods, although the accuracy of the two methods is almost the same, the proposed integrators are much simpler and less computationally expensive.展开更多
Based on the Magnus integrator method established in linear dynamic systems, an efficiently improved modified Magnus integrator method was proposed for the second-order dynamic systems with time-dependent high frequen...Based on the Magnus integrator method established in linear dynamic systems, an efficiently improved modified Magnus integrator method was proposed for the second-order dynamic systems with time-dependent high frequencies. Firstly, the secondorder dynamic system was reformulated as the first-order system and the frame of reference was transfered by introducing new variables so that highly oscillatory behaviour inherits from the entries in the meantime. Then the modified Magnus integrator method based on local linearization was appropriately designed for solving the above new form and some improved also were presented. Finally, numerical examples show that the proposed methods appear to be quite adequate for integration for highly oscillatory dynamic systems including Hamiltonian systems problem with long time and effectiveness.展开更多
Integrator based model is used to describe a wide range of systems in robotics. In this paper, we present an axis-coupled trajectory generation algorithm for chains of integrators with an arbitrary order. Special noti...Integrator based model is used to describe a wide range of systems in robotics. In this paper, we present an axis-coupled trajectory generation algorithm for chains of integrators with an arbitrary order. Special notice has been given to problems with pre-existing nominal plans, which are common in robotic applications. It also handles various type of constraints that can be satisfied on an entire time interval, including non-convex ones which can be transformed into a series of convex constraints through time segmentation. The proposed approach results in a linearly constrained quadratic programming problem, which can be solved effectively with off-the-shelf solvers. A closed-form solution is achievable with only the boundary constraints considered. Finally, the proposed method is tested in real experiments using quadrotors which represent high-order integrator systems.展开更多
The spacecraft with multistage solar panels have nonlinear coupling between attitudes of central body and solar panels, especially the rotation of central body is considered in space. The dynamics model is based for d...The spacecraft with multistage solar panels have nonlinear coupling between attitudes of central body and solar panels, especially the rotation of central body is considered in space. The dynamics model is based for dynamics analysis and control, and the multistage solar panels means the dynamics modeling will be very complex. In this research, the Lie group variational integrator method is introduced, and the dynamics model of spacecraft with solar panels that connects together by flexible joints is built. The most obvious character of this method is that the attitudes of central body and solar panels are all described by three-dimensional attitude matrix. The dynamics models of spacecraft with one and three solar panels are established and simulated. The study shows Lie group variational integrator method avoids parameters coupling and effectively reduces difficulty of modeling. The obtained continuous dynamics model based on Lie group is a set of ordinary differential equations and equivalent with traditional dynamics model that offers a basis for the geometry control.展开更多
The optimal tracking performance for integrator and dead time plant in the case where plant uncertainty and control energy constraints are to be considered jointly is inrestigated. Firstly, an average cost function of...The optimal tracking performance for integrator and dead time plant in the case where plant uncertainty and control energy constraints are to be considered jointly is inrestigated. Firstly, an average cost function of the tracking error and the plant input energy over a class of stochastic model errors are defined. Then, we obtain an internal model controller design method that minimizes the average performance and further studies optimal tracking performance for integrator and dead time plant in the simultaneous presence of plant uncertainty and control energy constraint. The results can be used to evaluate optimal tracking performance and control energy in practical designs.展开更多
基金Supported by the National Natural Science Foundation of China(No.U22A20246)the Key Project of Natural Science Foundation of Hebei Province of China(Basic Research Base Project)(No.A2023210064)the Science and Technology Program of Hebei Province of China(Nos.246Z1904G and 225676162GH)。
文摘The vehicle-road coupling dynamics problem is a prominent issue in transportation,drawing significant attention in recent years.These dynamic equations are characterized by high-dimensionality,coupling,and time-varying dynamics,making the exact solutions challenging to obtain.As a result,numerical integration methods are typically employed.However,conventional methods often suffer from low computational efficiency.To address this,this paper explores the application of the parameter freezing precise exponential integrator to vehicle-road coupling models.The model accounts for road roughness irregularities,incorporating all terms unrelated to the linear part into the algorithm's inhomogeneous vector.The general construction process of the algorithm is detailed.The validity of numerical results is verified through approximate analytical solutions(AASs),and the advantages of this method over traditional numerical integration methods are demonstrated.Multiple parameter freezing precise exponential integrator schemes are constructed based on the Runge-Kutta framework,with the fourth-order four-stage scheme identified as the optimal one.The study indicates that this method can quickly and accurately capture the dynamic system's vibration response,offering a new,efficient approach for numerical studies of high-dimensional vehicle-road coupling systems.
基金supported by the NSFC(11901120)supported by the NSFC(12171356)the Science and Technology Program of Guangzhou,China(2024A04J4027)。
文摘In this work,we propose a low-regularity Fourier integrator with almost mass conservation to solve the Davey-StewartsonⅡsystem(hyperbolic-elliptic case).Arbitrary order mass convergence could be achieved by the suitable addition of correction terms,while keeping the first order accuracy in H~γ×H^(γ+1)for initial data in H^(γ+1)×H^(γ+1)withγ>1.The main theorem is that,up to some fixed time T,there exist constantsτ_(0)and C depending only on T and‖u‖_(L^(∞)((0,T);H^(γ+1)))such that,for any 0<τ≤τ_(0),we have that‖u(t_(n),·)-u^(n)‖H_γ≤C_(τ),‖v(t_(n),·)-v^(n)‖_(Hγ+1)≤C_(τ),where u^(n)and v^(n)denote the numerical solutions at t_(n)=nτ.Moreover,the mass of the numerical solution M(u^(n))satisfies that|M(u^(n))-M(u_0)|≤Cτ~5.
基金support from the Hui-Chun Chin and Tsung-Dao Lee Chinese Undergraduate Research Endowment(CURE).
文摘Simulations of contact problems involving at least one plastic solid may be costly due to their strong nonlinearity and requirements of stability.In this work,we develop an explicit asynchronous variational integrator(AVI)for inelastic non-frictional contact problems involving a plastic solid.The AVI assigns each element in the mesh an independent time step and updates the solution at the elements and nodes asynchronously.This asynchrony makes the AVI highly efficient in solving such bi-material problems.Taking advantage of the AVI,the constitutive update is locally performed in one element at a time,and contact constraints are also enforced on only one element.The time step of the contact element is subdivided into multiple segments,and the fields are updated accordingly.During a contact event,only one element involving a few degrees of freedom is considered,leading to high efficiency.The proposed formulation is first verified with a pure elastodynamics benchmark and further applied to a contact problem involving an elastoplastic solid with non-associative volumetric hardening.The numerical results indicate that the AVI exhibits excellent energy behaviors and has high computational efficiency.
文摘Integrator processes with long delay are difficult to control. Nonlinear characteristics of actuators make the control problem more challenging. A technique is proposed in this paper for global satisfactory control （GSC） of such processes with relay-type nonlinearity. An oscillatory control signal is injected into the nonlinear process; the amplitude and frequency of the oscillatory signal are designed to linearise the nonlinear process in the sense of harmonic analysis; and a state feedback controller is configured to implement GSC over the linearised process. An illustrative example is given to demonstrate the effectiveness of
文摘In this paper, a distributed control scheme has been developed for consensus of single integrator multi-agent systems with directed fixed communication topology for arbitrarily large constant, time-varying or distributed communication delays. It is proved that the closed loop control system can reach consensus with an exponential convergence rate if and only if the topology is quasi-strongly connected. Simulation results are also provided to demonstrate the effectiveness of the proposed controller.
基金supported by the National Natural Science Foundation of China (Grant Nos. 10872084 and 10932002)the Research Program of Higher Education of Liaoning Province,China (Grant No. 2008S098)+3 种基金the Program of Supporting Elitists of Higher Education of Liaoning Province,China (Grant No. 2008RC20)the Program of Constructing Liaoning Provincial Key Laboratory,China (Grant No. 2008403009)the Foundation Research Plan of Liaoning educational Bureau,China (Grant No. L2010147)the Youth fund of Liaoning University,China (Grant No. 2008LDQN04)
文摘The variational integrators of autonomous Birkhoff systems are obtained by the discrete variational principle. The geometric structure of the discrete autonomous Birkhoff system is formulated. The discretization of mathematical pendulum shows that the discrete variational method is as effective as symplectic scheme for the autonomous Birkhoff systems.
文摘This paper studies a distributed optimal consensus problem for multiple double integrators under bounded velocity and acceleration. Assigned with an in dividual and private convex cost which is dependent on the position, each age nt n eeds to achieve consensus at the optimum of the aggregate cost under bounded velocity and acceleration. Based on relative positions and velocities to neighbor agents, we design a distributed control law by including the integration feedback of position and velocity errors. By employing quadratic Lyapunov functions, we solve the optimal consensus problem of double-integrators when the fixed topology is strongly connected and weight-balanced. Furthermore, if an initial estimate of the optimum can be known, then control gains can be properly selected to achieve an exponentially fast convergence under bounded velocity and acceleration. The result still holds when the relative velocity is not available, and we also discuss an extension for heterogeneous Euler-Lagrange systems by in verse dynamics control. A nu meric example is provided to illustrate the result.
基金the National Natural Science Foundation of China (Nos. 11472041,11532002,11772049,and 11802320)。
文摘The Chebyshev spectral variational integrator(CSVI) is presented in this paper. Spectral methods have aroused great interest in approximating numerically a smooth problem for their attractive geometric convergence rates. The geometric numerical methods are praised for their excellent long-time geometric structure-preserving properties.According to the generalized Galerkin framework, we combine two methods together to construct a variational integrator, which captures the merits of both methods. Since the interpolating points of the variational integrator are chosen as the Chebyshev points,the integration of Lagrangian can be approximated by the Clenshaw-Curtis quadrature rule, and the barycentric Lagrange interpolation is presented to substitute for the classic Lagrange interpolation in the approximation of configuration variables and the corresponding derivatives. The numerical float errors of the first-order spectral differentiation matrix can be alleviated by using a trigonometric identity especially when the number of Chebyshev points is large. Furthermore, the spectral variational integrator(SVI) constructed by the Gauss-Legendre quadrature rule and the multi-interval spectral method are carried out to compare with the CSVI, and the interesting kink phenomena for the Clenshaw-Curtis quadrature rule are discovered. The numerical results reveal that the CSVI has an advantage on the computing time over the whole progress and a higher accuracy than the SVI before the kink position. The effectiveness of the proposed method is demonstrated and verified perfectly through the numerical simulations for several classical mechanics examples and the orbital propagation for the planet systems and the Solar system.
文摘A boxcar integrator is described which is suitable for the low-repetition-rate signal processing. This boxcar integrator, named fixed-interval mode boxcar integrator, is able to reject harmonics other than the first harmonic component. It can also decrease the effective time constant In many situations, the antialiasing filter with narrow bandwidth will cause distortion of the input signal. The fixed-interval mode boxcar integrator with suitable gate width can achieve relative high performance without signal distortion because the bandwidth of its antialiasing filter can be wider than that in the fixed-Point boxcar integrator. ms boxcar integrator is used as majn part of signalprocessing circult in the low resisance measurement of inductive load coil. The results of experiments show that the fixed-interval boxcar integrator is suitable for low-repetition-rate use.
基金Project supported by the National Natural Science Foundation of China (Grant Nos 10672143 and 60575055)the State Key Laboratory of Scientific and Engineering Computing, Chinese Academy of Sciencesthe Natural Science Foundation of Henan Province Government, China (Grant No 0511022200)
文摘A discrete total variation calculus with variable time steps is presented for mechanico-electrical systems where there exist non-potential and dissipative forces. By using this discrete variation calculus, the symplectic-energy-first integrators for mechanico-electrical systems are derived. To do this, the time step adaptation is employed. The discrete variational principle and the Euler-Lagrange equation are derived for the systems. By using this discrete algorithm it is shown that mechanico-electrical systems are not symplectic and their energies are not conserved unless they are Lagrange mechanico-electrical systems. A practical example is presented to illustrate these results.
基金supported by the National Natural Science Foundation of China(No.21961142017)the Ministry of Science and Technology of China(No.2017YFA0204901)。
文摘Accurate and efficient integration of the equations of motion is indispensable for molecular dynamics(MD)simulations.Despite the massive use of the conventional leapfrog(LF)integrator in modern computational tools within the framework of MD propagation,further development for better performance is still possible.The alternative version of LF in the middle thermostat scheme(LFmiddle)achieves a higher order of accuracy and efficiency and maintains stable dynamics even with the integration time stepsize extended by several folds.In this work,we perform a benchmark test of the two integrators(LF and LF-middle)in extensive conventional and enhanced sampling simulations,aiming at quantifying the time-stepsizeinduced variations of global properties(e.g.,detailed potential energy terms)as well as of local observables(e.g.,free energy changes or bondlengths)in practical simulations of complex systems.The test set is composed of six chemically and biologically relevant systems,including the conformational change of dihedral flipping in the N-methylacetamide and an AT(AdenineThymine)tract,the intra-molecular proton transfer inside malonaldehyde,the binding free energy calculations of benzene and phenol targeting T4 lysozyme L99A,the hydroxyl bond variations in ethaline deep eutectic solvent,and the potential energy of the blue-light using flavin photoreceptor.It is observed that the time-step-induced error is smaller for the LFmiddle scheme.The outperformance of LF-middle over the conventional LF integrator is much more significant for global properties than local observables.Overall,the current work demonstrates that the LF-middle scheme should be preferably applied to obtain accurate thermodynamics in the simulation of practical chemical and biological systems.
文摘In this paper, we used an interpolation function with strong trigonometric components to derive a numerical integrator that can be used for solving first order initial value problems in ordinary differential equation. This numerical integrator has been tested for desirable qualities like stability, convergence and consistency. The discrete models have been used for a numerical experiment which makes us conclude that the schemes are suitable for the solution of first order ordinary differential equation.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11271195 and 11271196)the Project of Graduate Education Innovation of Jiangsu Province,China(Grant No.CXZZ12-0385)
文摘We derive a new multisymplectic integrator for the Kawahara-type equation which is a fully explicit scheme and thus needs less computation cost. Multisympecticity of such scheme guarantees the long-time numerical behaviors. Nu- merical experiments are presented to verify the accuracy of this scheme as well as the excellent performance on invariant preservation for three kinds of Kawahara-type equations.
基金Project supported by the National Natural Science Foundation of China(Nos.11172334 and11202247)the Fundamental Research Funds for the Central Universities(No.2013390003161292)
文摘This paper develops a new approach to construct variational integrators. A simplified unconventional Hamilton＇s variational principle corresponding to initial value problems is proposed, which is convenient for applications. The displacement and mo- mentum are approximated with the same Lagrange interpolation. After the numerical integration and variational operation, the original problems are expressed as algebraic equations with the displacement and momentum at the interpolation points as unknown variables. Some particular variational integrators are derived. An optimal scheme of choosing initial values for the Newton-Raphson method is presented for the nonlinear dynamic system. In addition, specific examples show that the proposed integrators are symplectic when the interpolation point coincides with the numerical integration point, and both are Gaussian quadrature points. Meanwhile, compared with the same order symplectic Runge-Kutta methods, although the accuracy of the two methods is almost the same, the proposed integrators are much simpler and less computationally expensive.
基金Project supported by the National Natural Science Foundation of China (No.10572119)Program for New Century Excellent Talent of Ministry of Education of China (No.NCET-04-0958)the Open Foundation of State Key Laboratory of Structural Analysis of Industrial Equipmentthe Doctorate Foundation of Northwestern Polytechnical University
文摘Based on the Magnus integrator method established in linear dynamic systems, an efficiently improved modified Magnus integrator method was proposed for the second-order dynamic systems with time-dependent high frequencies. Firstly, the secondorder dynamic system was reformulated as the first-order system and the frame of reference was transfered by introducing new variables so that highly oscillatory behaviour inherits from the entries in the meantime. Then the modified Magnus integrator method based on local linearization was appropriately designed for solving the above new form and some improved also were presented. Finally, numerical examples show that the proposed methods appear to be quite adequate for integration for highly oscillatory dynamic systems including Hamiltonian systems problem with long time and effectiveness.
文摘Integrator based model is used to describe a wide range of systems in robotics. In this paper, we present an axis-coupled trajectory generation algorithm for chains of integrators with an arbitrary order. Special notice has been given to problems with pre-existing nominal plans, which are common in robotic applications. It also handles various type of constraints that can be satisfied on an entire time interval, including non-convex ones which can be transformed into a series of convex constraints through time segmentation. The proposed approach results in a linearly constrained quadratic programming problem, which can be solved effectively with off-the-shelf solvers. A closed-form solution is achievable with only the boundary constraints considered. Finally, the proposed method is tested in real experiments using quadrotors which represent high-order integrator systems.
基金the financial support from the National Natural Science Foundation of China (Grants 11732005 and 11472058)
文摘The spacecraft with multistage solar panels have nonlinear coupling between attitudes of central body and solar panels, especially the rotation of central body is considered in space. The dynamics model is based for dynamics analysis and control, and the multistage solar panels means the dynamics modeling will be very complex. In this research, the Lie group variational integrator method is introduced, and the dynamics model of spacecraft with solar panels that connects together by flexible joints is built. The most obvious character of this method is that the attitudes of central body and solar panels are all described by three-dimensional attitude matrix. The dynamics models of spacecraft with one and three solar panels are established and simulated. The study shows Lie group variational integrator method avoids parameters coupling and effectively reduces difficulty of modeling. The obtained continuous dynamics model based on Lie group is a set of ordinary differential equations and equivalent with traditional dynamics model that offers a basis for the geometry control.
基金the High Technology Research and Development (863) Program (2003AA517020).
文摘The optimal tracking performance for integrator and dead time plant in the case where plant uncertainty and control energy constraints are to be considered jointly is inrestigated. Firstly, an average cost function of the tracking error and the plant input energy over a class of stochastic model errors are defined. Then, we obtain an internal model controller design method that minimizes the average performance and further studies optimal tracking performance for integrator and dead time plant in the simultaneous presence of plant uncertainty and control energy constraint. The results can be used to evaluate optimal tracking performance and control energy in practical designs.
