Asynchronous Variational Integrators

We describe a new class of asynchronous variational integrators (AVI) for nonlinear elastodynamics. The AVIs are distinguished by the following attributes: (i) The algorithms permit the selection of independent time steps in each element, and the local time steps need not bear an integral relation to each other; (ii) the algorithms derive from a spacetime form of a discrete version of Hamilton’s variational principle. As a consequence of this variational structure, the algorithms conserve local momenta and a local discrete multisymplectic structure exactly. To guide the development of the discretizations, a spacetime multisymplectic formulation of elastodynamics is presented. The variational principle used incorporates both configuration and spacetime reference variations. This allows a unified treatment of all the conservation properties of the system.A discrete version of reference configuration is also considered, providing a natural definition of a discrete energy. The possibilities for discrete energy conservation are evaluated. Numerical tests reveal that, even when local energy balance is not enforced exactly, the global and local energy behavior of the AVIs is quite remarkable, a property which can probably be traced to the symplectic nature of the algorith

An Overview of Variational Integrators

The purpose of this paper is to survey some recent advances in variational integrators for both finite dimensional mechanical systems as well as continuum mechanics. These advances include the general development of discrete mechanics, applications to dissipative systems, collisions, spacetime integration algorithms, AVI’s (Asynchronous Variational Integrators), as well as reduction for discrete mechanical systems. To keep the article within the set limits, we will only treat each topic briefly and will not attempt to develop any particular topic in any depth. We hope, nonetheless, that this paper serves as a useful guide to the literature as well as to future directions and open problems in the subject

Time-step coupling for hybrid simulations of multiscale flows

A new method is presented for the exploitation of time-scale separation in hybrid continuum-molecular models of multiscale flows. Our method is a generalisation of existing approaches, and is evaluated in terms of computational efficiency and physical/numerical error. Comparison with existing schemes demonstrates comparable, or much improved, physical accuracy, at comparable, or far greater, efficiency (in terms of the number of time-step operations required to cover the same physical time). A leapfrog coupling is proposed between the ‘macro’ and ‘micro’ components of the hybrid model and demonstrates potential for improved numerical accuracy over a standard simultaneous approach. A general algorithm for a coupled time step is presented. Three test cases are considered where the degree of time-scale separation naturally varies during the course of the simulation. First, the step response of a second-order system composed of two linearly-coupled ODEs. Second, a micro-jet actuator combining a kinetic treatment in a small flow region where rarefaction is important with a simple ODE enforcing mass conservation in a much larger spatial region. Finally, the transient start-up flow of a journal bearing with a cylindrical rarefied gas layer. Our new time-stepping method consistently demonstrates as good as or better performance than existing schemes. This superior overall performance is due to an adaptability inherent in the method, which allows the most-desirable aspects of existing schemes to be applied only in the appropriate conditions

An asynchronous leapfrog method II

A second order explicit one-step numerical method for the initial value problem of the general ordinary differential equation is proposed. It is obtained by natural modifications of the well-known leapfrog method, which is a second order, two-step, explicit method. According to the latter method, the input data for an integration step are two system states, which refer to different times. The usage of two states instead of a single one can be seen as the reason for the robustness of the method. Since the time step size thus is part of the step input data, it is complicated to change this size during the computation of a discrete trajectory. This is a serious drawback when one needs to implement automatic time step control. The proposed modification transforms one of the two input states into a velocity and thus gets rid of the time step dependency in the step input data. For these new step input data, the leapfrog method gives a unique prescription how to evolve them stepwise. The stability properties of this modified method are the same as for the original one: the set of absolute stability is the interval [-i,+i] on the imaginary axis. This implies exponential growth of trajectories in situations where the exact trajectory has an asymptote. By considering new evolution steps that are composed of two consecutive old evolution steps we can average over the velocities of the sub-steps and get an integrator with a much larger set of absolute stability, which is immune to the asymptote problem. The method is exemplified with the equation of motion of a one-dimensional non-linear oscillator describing the radial motion in the Kepler problem.Comment: 41 pages, 25 figure

Evaluation of a new implicit coupling algorithm for the partitioned fluid-structure interaction simulation of bileaflet mechanical heart valves

We present a newly developed Fluid-Structure Interaction coupling algorithm to simulate Bileaflet Mechanical Heart Valves dynamics in a partitioned way. The coupling iterations between the flow solver and the leaflet motion solver are accelerated by using the Jacobian with the derivatives of the pressure and viscous moments acting on the leaflets with respect to the leaflet acceleration. This Jacobian is used in the leaflet motion solver when new positions of the leaflets are computed during the coupling iterations. The Jacobian is numerically derived from the flow solver by applying leaflet perturbations. Instead of calculating this Jacobian every time step, the Jacobian is extrapolated from previous time steps and a recalculation of the Jacobian is only done when needed. The efficiency of our new algorithm is subsequently compared to existing algorithms which use fixed relaxation and dynamic Aitken Δ2 relaxation in the coupling iterations when the new positions of the leaflets are computed. Results show that dynamic Aitken Δ2 relaxation outperforms fixed relaxation. Moreover, during the opening phase of the valve, our new algorithm needs fewer subiterations per time step to achieve convergence than the method with Aitken Δ2 relaxation. Thus, our newly developed FSI coupling scheme outperforms the existing coupling schemes

A patch that imparts unconditional stability to certain explicit integrators for SDEs

This paper proposes a simple strategy to simulate stochastic differential equations (SDE) arising in constant temperature molecular dynamics. The main idea is to patch an explicit integrator with Metropolis accept or reject steps. The resulting `Metropolized integrator' preserves the SDE's equilibrium distribution and is pathwise accurate on finite time intervals. As a corollary the integrator can be used to estimate finite-time dynamical properties along an infinitely long solution. The paper explains how to implement the patch (even in the presence of multiple-time-stepsizes and holonomic constraints), how it scales with system size, and how much overhead it requires. We test the integrator on a Lennard-Jones cluster of particles and `dumbbells' at constant temperature.Comment: 29 pages, 5 figure

R-adaptive multisymplectic and variational integrators

Moving mesh methods (also called r-adaptive methods) are space-adaptive strategies used for the numerical simulation of time-dependent partial differential equations. These methods keep the total number of mesh points fixed during the simulation, but redistribute them over time to follow the areas where a higher mesh point density is required. There are a very limited number of moving mesh methods designed for solving field-theoretic partial differential equations, and the numerical analysis of the resulting schemes is challenging. In this paper we present two ways to construct r-adaptive variational and multisymplectic integrators for (1+1)-dimensional Lagrangian field theories. The first method uses a variational discretization of the physical equations and the mesh equations are then coupled in a way typical of the existing r-adaptive schemes. The second method treats the mesh points as pseudo-particles and incorporates their dynamics directly into the variational principle. A user-specified adaptation strategy is then enforced through Lagrange multipliers as a constraint on the dynamics of both the physical field and the mesh points. We discuss the advantages and limitations of our methods. Numerical results for the Sine-Gordon equation are also presented.Comment: 65 pages, 13 figure