From molecular dynamics to coarse self-similar solutions: a simple example using equation-free computation
| Autor: | C. W. Gear, Ioannis G. Kevrekidis, Pablo G. Debenedetti, L. Chen |
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| Rok vydání: | 2004 |
| Předmět: |
Molecular diffusion
Computer science Applied Mathematics Mechanical Engineering General Chemical Engineering Computation Complex system Context (language use) Fixed point Condensed Matter Physics Renormalization Molecular dynamics Simple (abstract algebra) General Materials Science Statistical physics |
| Zdroj: | Journal of Non-Newtonian Fluid Mechanics. 120:215-223 |
| ISSN: | 0377-0257 |
| DOI: | 10.1016/j.jnnfm.2003.12.007 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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