Expected Dynamics in Complex Media & Stochastic Simulations A Course-Time Steeper

Abstract

The purpose of this project was to develop new numerical methods for the study of the expected behavior of stochastic simulations (such as kinetic Monte Carlo, kMC, or Brownian Dynamics, BD) as well as problems involving complex media (i.e. homogenization, or effective medium theory). Many situations arise in current engineering modeling where stochastic simulators are available, yet closed equations for the expected behavior are not explicitly known. Our coarse time-stepper based approach is a bridge that connects microscopic/detailed simulation with macroscopic, systems level numerical analysis, enabling tasks like prediction, stability analysis, controller design and optimization to be performed directly on the microscopic models. We have constructed bridges between existing and future microscopic simulation codes (kMC, MD, MC, BD, LB etc.) and traditional, continuum numerical analysis. We trade function evaluations (in the continuum computations) for appropriately initialized "bursts" of microscopic simulations, executed over short space and time intervals, followed by post-processing based on 5 stem-identification techniques.

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Document Details

Document Type
Technical Report
Publication Date
Jun 30, 2003
Accession Number
ADA419612

Entities

People

  • Yannís G. Kevrekidis

Organizations

  • Princeton University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Chemical Engineering
  • Complex Systems
  • Computations
  • Dynamics
  • Engineering
  • Equations
  • Failure Mode And Effect Analysis
  • Materials
  • Materials Processing
  • Materials Science
  • Molecular Dynamics
  • Monte Carlo Method
  • Multiscale Modeling
  • Numerical Analysis
  • Physics
  • Simulations
  • Simulators

Readers

  • Computational Fluid Dynamics (CFD)

Technology Areas

  • Space