Accurate macroscale modelling of spatial dynamics in multiple dimensions

Roberts, A. J. and MacKenzie, Tony and Bunder, J. E. (2012) Accurate macroscale modelling of spatial dynamics in multiple dimensions. Technical Report. University of Adelaide , Adelaide, Australia. [Report]


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.

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Item Type: Report (Technical Report)
Item Status: Live Archive
Additional Information: Permanent restricted access to published version due to publisher copyright policy.
Faculty/School / Institute/Centre: Historic - Faculty of Sciences - Department of Maths and Computing (Up to 30 Jun 2013)
Faculty/School / Institute/Centre: Historic - Faculty of Sciences - Department of Maths and Computing (Up to 30 Jun 2013)
Date Deposited: 26 Feb 2015 03:47
Last Modified: 11 Dec 2017 05:47
Uncontrolled Keywords: dynamical systems theory; mathematical modelling
Fields of Research (2008): 08 Information and Computing Sciences > 0802 Computation Theory and Mathematics > 080202 Applied Discrete Mathematics
01 Mathematical Sciences > 0103 Numerical and Computational Mathematics > 010301 Numerical Analysis
01 Mathematical Sciences > 0101 Pure Mathematics > 010109 Ordinary Differential Equations, Difference Equations and Dynamical Systems
Fields of Research (2020): 49 MATHEMATICAL SCIENCES > 4901 Applied mathematics > 490199 Applied mathematics not elsewhere classified
49 MATHEMATICAL SCIENCES > 4903 Numerical and computational mathematics > 490302 Numerical analysis
49 MATHEMATICAL SCIENCES > 4904 Pure mathematics > 490409 Ordinary differential equations, difference equations and dynamical systems
Socio-Economic Objectives (2008): E Expanding Knowledge > 97 Expanding Knowledge > 970101 Expanding Knowledge in the Mathematical Sciences

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