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

DOI10.1016/J.JNNFM.2003.12.007MaRDI QIDQ1763569zbMATH OpenOpenAlexFDO

Authors Long Chen, Pablo G. Debenedetti, C. William Gear, I. G. Kevrekidis

Publication date 22 February 2005

Published in Journal of Non-Newtonian Fluid Mechanics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/physics/0312142

zbMATH Keywords

distribution functiondynamic renormalizationmicroscopic model

Mathematics Subject Classification ID

Foundations, constitutive equations, rheology, hydrodynamical models of non-fluid phenomena (76A99)

Abstract: 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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