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Developments in dynamical systems theory provides new support for the discretisation of \pde{}s and other microscale systems. By systematically resolving subgrid microscale dynamics the new approach constructs asymptotically accurate,…

Numerical Analysis · Mathematics 2009-04-07 Tony MacKenzie , A. J. Roberts

Dynamical systems theory provides powerful methods to extract effective macroscopic dynamics from complex systems with slow modes and fast modes. Here we derive and theoretically support a macroscopic, spatially discrete, model for a class…

Analysis of PDEs · Mathematics 2010-03-12 Wei Wang , A. J. Roberts

Common techniques for the spatial discretisation of PDEs on a macroscale grid include finite difference, finite elements and finite volume methods. Such methods typically impose assumed microscale structures on the subgrid fields, so…

Dynamical Systems · Mathematics 2022-04-15 J. E. Bunder , A. J. Roberts

Spatial reaction-diffusion models have been employed to describe many emergent phenomena in biological systems. The modelling technique most commonly adopted in the literature implements systems of partial differential equations (PDEs),…

Quantitative Methods · Quantitative Biology 2015-10-05 Christian A. Yates , Mark B. Flegg

Finite difference/element/volume methods of discretising PDEs impose a subgrid scale interpolation on the dynamics. In contrast, the holistic discretisation approach developed herein constructs a natural subgrid scale field adapted to the…

Numerical Analysis · Mathematics 2016-02-04 G. A. Jarrad , A. J. Roberts

We consider one dimensional lattice diffusion model on a microscale grid with many discrete diffusivity values which repeat periodicially. Computer algebra explores how the dynamics of small coupled `patches' predict the slow emergent…

Dynamical Systems · Mathematics 2016-06-24 J. E. Bunder , A. J. Roberts , I. G. Kevrekidis

Stochastic simulation methods can be applied successfully to model exact spatio-temporally resolved reaction-diffusion systems. However, in many cases, these methods can quickly become extremely computationally intensive with increasing…

Quantitative Methods · Quantitative Biology 2016-04-29 Jonathan U. Harrison , Christian A. Yates

A slowly-varying or thin-layer multiscale assumption empowers macroscale understanding of many physical scenarios from dispersion in pipes and rivers, including beams, shells, and the modulation of nonlinear waves, to homogenisation of…

Dynamical Systems · Mathematics 2020-01-22 A. J. Roberts

Many physical systems are well described on domains which are relatively large in some directions but relatively thin in other directions. In this scenario we typically expect the system to have emergent structures that vary slowly over the…

Dynamical Systems · Mathematics 2016-12-15 A. J. Roberts , J. E. Bunder

Sampling the phase space of molecular systems -- and, more generally, of complex systems effectively modeled by stochastic differential equations -- is a crucial modeling step in many fields, from protein folding to materials discovery.…

Machine Learning · Computer Science 2023-12-12 Ellis R. Crabtree , Juan M. Bello-Rivas , Andrew L. Ferguson , Ioannis G. Kevrekidis

We introduce a simplified technique for incorporating diffusive phenomena into lattice-gas molecular dynamics models. In this method, spatial interactions take place one dimension at a time, with a separate fractional timestep devoted to…

Cellular Automata and Lattice Gases · Physics 2007-05-23 Raissa M. D'Souza , Norman H. Margolus , Mark A. Smith

Many practical approximations in physics and engineering invoke a relatively long physical domain with a relatively thin cross-section. In this scenario we typically expect the system to have structures that vary slowly in the long…

Dynamical Systems · Mathematics 2013-12-10 A. J. Roberts

Most methods for modelling dynamics posit just two time scales: a fast and a slow scale. But many applications, including many in continuum mechanics, possess a wide variety of space-time scales; often they possess a continuum of space-time…

Cellular Automata and Lattice Gases · Physics 2008-02-11 A. J. Roberts

Coarse grained, macroscale, spatial discretisations of nonlinear nonautonomous partial differential\difference equations are given novel support by centre manifold theory. Dividing the physical domain into overlapping macroscale elements…

Dynamical Systems · Mathematics 2013-12-31 J. E. Bunder , A. J. Roberts

Constructing discrete models of stochastic partial differential equations is very delicate. Stochastic centre manifold theory provides novel support for coarse grained, macroscale, spatial discretisations of nonlinear stochastic partial…

Dynamical Systems · Mathematics 2010-03-09 A. J. Roberts

Reaction-diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or…

Computational Physics · Physics 2016-03-02 Fabian Spill , Pilar Guerrero , Tomas Alarcon , Philip K. Maini , Helen Byrne

Consider the macroscale modelling of microscale spatiotemporal dynamics. Here we develop a new approach to ensure coarse scale discrete models preserve important self-adjoint properties of the fine scale dynamics. The first part explores…

Cellular Automata and Lattice Gases · Physics 2008-11-06 A. J. Roberts

I prove that a centre manifold approach to creating finite difference models will consistently model linear dynamics as the grid spacing becomes small. Using such tools of dynamical systems theory gives new assurances about the quality of…

Numerical Analysis · Mathematics 2025-10-20 A. J. Roberts

Consider briefly the equations of fluid dynamics-they describe the enormous wealth of detail in all the interacting physical elements of a fluid flow-whereas in applications we want to deal with a description of just that which is…

chao-dyn · Physics 2016-08-31 A. J. Roberts

Recent years have seen a huge development in spatial modelling and prediction methodology, driven by the increased availability of remote-sensing data and the reduced cost of distributed-processing technology. It is well known that…

Computation · Statistics 2020-02-18 Andrew Zammit-Mangion , Jonathan Rougier
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