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

L. Chen, P. G. Debenedetti, C. W. Gear, I. G. Kevrekidis

Research output: Contribution to journalArticle

28 Scopus citations

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.

Original languageEnglish (US)
Pages (from-to)215-223
Number of pages9
JournalJournal of Non-Newtonian Fluid Mechanics
Volume120
Issue number1-3
DOIs
StatePublished - Jul 1 2004

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Applied Mathematics

Keywords

  • Distribution function
  • Dynamic renormalization
  • Equation-free
  • Microscopic model

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