Error Control for Molecular Statics Problems

Abstract

In this paper, we present an extension of goal-oriented error estimation and adaptation to the simulation of multi-scale problems of molecular statics. Computable error estimates for the quasicontinuum method are developed with respect to specific quantities of interest and an adaptive strategy based upon these estimates is proposed for error control. The theoretical results are illustrated on a nanoindentation problem in which the quantity of interest is the force acting on the indenter. The promising capability of such error estimates and adaptive procedure for the solution of multi-scale problems is demonstrated on numerical examples.

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Document Details

Document Type
Technical Report
Publication Date
Aug 11, 2005
Accession Number
ADA446319

Entities

People

  • J. T. Oden
  • Paul T. Bauman
  • Serge Prudhomme

Organizations

  • University of Texas at Austin

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Aluminum
  • Boundaries
  • Computational Science
  • Dislocations
  • Displacement
  • Electron Density
  • Electrons
  • Elements
  • Engineering
  • Estimators
  • Films
  • Materials
  • Potential Energy
  • Simulations
  • Thin Films
  • Vector Spaces

Fields of Study

  • Mathematics

Readers

  • Adaptive Control and Estimation with Uncertainty in Dynamic Systems.
  • Materials Science and Engineering.