From molecular dynamics to coarse self-similar solutions: A simple example using equation-free computation

Details From molecular dynamics to coarse self-similar solutions: A simple example using equation-free computation From molecular dynamics to coarse self-similar solutions: A simple example using equation-free computation

2003-12-24

arxiv.org/abs/physics/0312142v1

Physics

Computational Physics

19 pages, 4 figures. Accepted in Journ. of non-Newtonian Fluid Mechanics

Scientific paper

In the context of the recently developed "equation-free" approach to the computer-assisted analysis of complex systems, we illustrate the computation of coarsely self-similar solutions. Dynamic renormalization and fixed point algorithms for the macroscopic density dynamics are applied to the results of short bursts of appropriately initialized molecular dynamics in a simple diffusion simulation. The approach holds promise for locating coarse self-similar solutions and the corresponding exponents in a variety of multiscale computational contexts.

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