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1.
We derive a test problem for evaluating the ability of time-steppingmethods to preserve the statistical properties of systems inmolecular dynamics. We consider a family of deterministic systemsconsisting of a finite number of particles interacting on acompact interval. The particles are given random initial conditionsand interact through instantaneous energy- and momentum-conservingcollisions. As the number of particles, the particle density,and the mean particle speed go to infinity, the trajectory ofa tracer particle is shown to converge to a stationary Gaussianstochastic process. We approximate this system by one describedby a system of ordinary differential equations and provide numericalevidence that it converges to the same stochastic process. Wesimulate the latter system with a variety of numerical integrators,including the symplectic Euler method, a fourth-order Runge-Kuttamethod, and an energyconserving step-and-project method. Weassess the methods' ability to recapture the system's limitingstatistics and observe that symplectic Euler performs significantlybetter than the others for comparable computational expense. 相似文献
2.
Zhu Yongliang; Pagilla Prabhakar R. 《IMA Journal of Mathematical Control and Information》2005,22(2):181-186
We derive some useful and easily computable necessary conditionsfor the existence of a positive semi-definite solution to thealgebraic Ricatti equation (ARE). A motivating example is givento highlight the usefulness of the conditions for controllerand observer designs for nonlinear systems. Further, an upperbound on the trace of the solution to the ARE is also derived. 相似文献
3.
UCINSKI DARIUSZ; JAI ABDELHAQ EL 《IMA Journal of Mathematical Control and Information》1997,14(2):153-174
In this paper, the concept of weak spreadability is introduced.It constitutes an extension of the idea developed by El Jai& Kassara. In the case of linear distributed systems weconsider quadratic control techniques with a conveniently penalizedcriterion which makes the system weakly spreadable. The approachis outlined for a convectiondiffusion system, and theresults of a numerical study are also included to illustratethe main features of the considered problem. 相似文献
4.
Numerical methods for the efficient integration of both stiff and nonstiff equations of motion of multibody systems having
the form of differential-algebraic equations (DAE) of index 3 are discussed. Linear multi-step ABM and BDF methods are considered
for the non-iterational integration of nonstiff DAE. The Park method is proposed for integration of stiff equations.
This revised version was published online in June 2006 with corrections to the Cover Date. 相似文献
5.
The self-diffusion of benzene, toluene, and ethylbenzene in polystyrene have been analyzed using the Vrentas/Duda free-volume diffusion model. Diffusion coefficient predictions suggest an exponential concentration dependence of the activation energy required to overcome attractive forces, E. Without the use of any diffusion data approximating E as zero over the entire concentration range yields self-diffusion coefficient predictions which are in good agreement with experimental data. © 1992 John Wiley & Sons, Inc. 相似文献
6.
Li Changjun; Li Zheng; Evans David J.; Zhang Tie 《IMA Journal of Numerical Analysis》2003,23(4):581-592
Golub et al. (2001, BIT, 41, 7185) gave a generalizedsuccessive over-relaxation method for the augmented systems.In this paper, the connection between the SOR-like method andthe preconditioned conjugate gradient (PCG) method for the augmentedsystems is investigated. It is shown that the PCG method isat least as accurate (fast) as the SOR-like method. Numericalexamples demonstrate that the PCG method is much faster thanthe SOR-like method. 相似文献
7.
Shaping command input or preshaping is used for reducing system oscillation in motion control. Desired systems inputs are altered so that the system finishes the requested move without residual oscillation. This technique, developed by N.C. Singer and W.P. Seering, is used for example in the aerospace field, in particular in flexible structure control. This paper presents the study of ZV shaper for explicit fractional derivative systems (generalized derivative systems). A robustness study of ZV shaper is then presented and applied to improve second generation CRONE control response time. Results from simulation and from a DC motor bench are also given. 相似文献
8.
We propose an integrable deformation of the known model of two interacting tops on the algebra so(p,q). We consider particular cases including the generalized Lagrange and Kovalevskaya tops. We construct the Lax matrices and the corresponding classical R-matrices. 相似文献
9.
P. Tekely V. G rardy P. Palmas D. Canet A. Retournard 《Solid state nuclear magnetic resonance》1995,4(6):361-367
A simple modification of the standard cross-polarization method designed for quenching the proton T1ρ dependence when studying polarization transfer is presented. It is demonstrated that by using this simple procedure, new and subtle details of cross-polarization dynamics, previously hidden by the T1ρ(1H) effect, can be observed in dipolar-coupled spin systems. 相似文献
10.
Uncertainty about the nature and significance of nonlinearities and the manner in which dynamics affect future realizations makes model specification the most difficult aspect of modeling dynamic systems. By interpreting several popular fishery models as subcases of a nesting dynamic Taylor series approximation, we isolate the specification differences between these models in a way that accounts for commonalities. On the argument that the differences due to alternative nonlinear forms are likely to be small compared to more mundane considerations such as delay difference and general dynamic lag specification, we propose an alternative model that uses the terms from the first order approximation common to all models combined with a data-based determination of the appropriate lags using the methods of state space time series analysis. Finally, the success of the alternative models is judged in an application to Pacific halibut data. 相似文献