From molecular dynamics to coarse self-similar solutions: A simple example using equation-free computation
计算物理
2007-05-23 v1
摘要
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.
引用
@article{arxiv.physics/0312142,
title = {From molecular dynamics to coarse self-similar solutions: A simple example using equation-free computation},
author = {L. Chen and P. G. Debenedetti and C. W. Gear and I. G. Kevrekidis},
journal= {arXiv preprint arXiv:physics/0312142},
year = {2007}
}
备注
19 pages, 4 figures. Accepted in Journ. of non-Newtonian Fluid Mechanics