Accurate macroscale modelling of spatial dynamics in multiple dimensions

Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid microscale dynamics the dynamical systems approach constructs accurate closures of macroscale discretisations of the microscale system. Here we specifically explore reaction-diffusion problems in two spatial dimensions as a prototype of generic systems in multiple dimensions. Our approach unifies into one the modelling of systems by a type of finite elements, and the `equation free' macroscale modelling of microscale simulators efficiently executing only on small patches of the spatial domain. Centre manifold theory ensures that a closed model exist on the macroscale grid, is emergent, and is systematically approximated. Dividing space either into overlapping finite elements or into spatially separated small patches, the specially crafted inter-element/patch coupling also ensures that the constructed discretisations are consistent with the microscale system/PDE to as high an order as desired. Computer algebra handles the considerable algebraic details as seen in the specific application to the Ginzburg--Landau PDE. However, higher order models in multiple dimensions require a mixed numerical and algebraic approach that is also developed. The modelling here may be straightforwardly adapted to a wide class of reaction-diffusion PDEs and lattice equations in multiple space dimensions. When applied to patches of microscopic simulations our coupling conditions promise efficient macroscale simulation.Comment: some figures with 3D interaction when viewed in Acrobat Reader. arXiv admin note: substantial text overlap with arXiv:0904.085

Multiscale modeling of rapid granular flow with a hybrid discrete-continuum method

Both discrete and continuum models have been widely used to study rapid granular flow, discrete model is accurate but computationally expensive, whereas continuum model is computationally efficient but its accuracy is doubtful in many situations. Here we propose a hybrid discrete-continuum method to profit from the merits but discard the drawbacks of both discrete and continuum models. Continuum model is used in the regions where it is valid and discrete model is used in the regions where continuum description fails, they are coupled via dynamical exchange of parameters in the overlap regions. Simulation of granular channel flow demonstrates that the proposed hybrid discrete-continuum method is nearly as accurate as discrete model, with much less computational cost

Combined Global and Local Search for the Falsification of Hybrid Systems

In this paper we solve the problem of finding a trajectory that shows that a given hybrid dynamical system with deterministic evolution leaves a given set of states considered to be safe. The algorithm combines local with global search for achieving both efficiency and global convergence. In local search, it exploits derivatives for efficient computation. Unlike other methods for falsification of hybrid systems with deterministic evolution, we do not restrict our search to trajectories of a certain bounded length but search for error trajectories of arbitrary length

Eigenvalue Estimation of Differential Operators

We demonstrate how linear differential operators could be emulated by a quantum processor, should one ever be built, using the Abrams-Lloyd algorithm. Given a linear differential operator of order 2S, acting on functions psi(x_1,x_2,...,x_D) with D arguments, the computational cost required to estimate a low order eigenvalue to accuracy Theta(1/N^2) is Theta((2(S+1)(1+1/nu)+D)log N) qubits and O(N^{2(S+1)(1+1/nu)} (D log N)^c) gate operations, where N is the number of points to which each argument is discretized, nu and c are implementation dependent constants of O(1). Optimal classical methods require Theta(N^D) bits and Omega(N^D) gate operations to perform the same eigenvalue estimation. The Abrams-Lloyd algorithm thereby leads to exponential reduction in memory and polynomial reduction in gate operations, provided the domain has sufficiently large dimension D > 2(S+1)(1+1/nu). In the case of Schrodinger's equation, ground state energy estimation of two or more particles can in principle be performed with fewer quantum mechanical gates than classical gates.Comment: significant content revisions: more algorithm details and brief analysis of convergenc

Trapping and Steering on Lattice Strings: Virtual Slow Waves, Directional and Non-propagating Excitations

Using a lattice string model, a number of peculiar excitation situations related to non-propagating excitations and non-radiating sources are demonstrated. External fields can be used to trap excitations locally but also lead to the ability to steer such excitations dynamically as long as the steering is slower than the field's wave propagation. I present explicit constructions of a number of examples, including temporally limited non-propagating excitations, directional excitation and virtually slowed propagation. Using these dynamical lattice constructions I demonstrate that neither persistent temporal oscillation nor static localization are necessary for non-propagating excitations to occur.Comment: 16 pages, 5 figures, RevTex4, references added, figure captions improved, to appear in Physical Review

Differential-Algebraic Equations and Beyond: From Smooth to Nonsmooth Constrained Dynamical Systems

The present article presents a summarizing view at differential-algebraic equations (DAEs) and analyzes how new application fields and corresponding mathematical models lead to innovations both in theory and in numerical analysis for this problem class. Recent numerical methods for nonsmooth dynamical systems subject to unilateral contact and friction illustrate the topicality of this development.Comment: Preprint of Book Chapte