"Coarse" stability and bifurcation analysis using stochastic simulators: Kinetic Monte Carlo examples

Alexei G. Makeev, Dimitrios Maroudas, Ioannis G. Kevrekidis

Research output: Contribution to journalArticle

108 Scopus citations

Abstract

A discussion was presented on the implementation of a computer-assisted approach that, under appropriate conditions, allowed the bifurcation analysis of the 'coarse' dynamic behavior of microscopic simulators without requiring the explicit derivation of closed macroscopic equations. The approach was illustrated through the computation of both stable and unstable coarsely invarient states for kinetic Monte Carlo models of three simple surface reaction schemes. The linearized stability of these coarsely invariant states was quantified alongwith performing of pseudoarclength continuation, detection of coarse limit point and coarse Hopf bifurcations and construction of two-parameter bifurcation diagrams.

Original languageEnglish (US)
Pages (from-to)10083-10091
Number of pages9
JournalJournal of Chemical Physics
Volume116
Issue number23
DOIs
StatePublished - Jun 23 2002

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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