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
