Dimension-splitting for simplifying diffusion in lattice-gas models

DOI10.1023/A:1014587326991MaRDI QIDQ1611665zbMATH OpenOpenAlexFDO

Authors Raissa M. D'Souza, Norman H. Margolus, Mark A. Smith

Publication date 21 August 2002

Published in Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/nlin/0106038

zbMATH Keywords

diffusionalternating direction methodtransport theorydimension-splittingmicroscopic reversibilitylattice-gas automatafractional timestep methodparallelcomputing

Mathematics Subject Classification ID

Diffusion (76R50) Transport processes in time-dependent statistical mechanics (82C70)

Abstract: 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 each dimension, and with all dimensions treated identically. We show that the model resulting from this technique is equivalent to the macroscopic diffusion equation in the appropriate limit. This technique saves computational resources and reduces the complexity of model design, programming, debugging, simulation and analysis. For example, a reaction-diffusion simulation can be designed and tested as a one-dimensional system, and then directly extended to two or more dimensions. We illustrate the use of this approach in constructing a microscopically reversible model of diffusion limited aggregation as well as in a model of growth of biological films.

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