A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks

Xiantao Li, Jerry Z. Yang, E. Weinan

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

We present a multiscale model for numerical simulations of dynamics of crystalline solids. The method combines the continuum nonlinear elasto-dynamics model, which models the stress waves and physical loading conditions, and molecular dynamics model, which provides the nonlinear constitutive relation and resolves the atomic structures near local defects. The coupling of the two models is achieved based on a general framework for multiscale modeling - the heterogeneous multiscale method (HMM). We derive an explicit coupling condition at the atomistic/continuum interface. Application to the dynamics of brittle cracks under various loading conditions is presented as test examples.

Original languageEnglish (US)
Pages (from-to)3970-3987
Number of pages18
JournalJournal of Computational Physics
Volume229
Issue number10
DOIs
StatePublished - Apr 20 2010

All Science Journal Classification (ASJC) codes

  • Numerical Analysis
  • Modeling and Simulation
  • Physics and Astronomy (miscellaneous)
  • Physics and Astronomy(all)
  • Computer Science Applications
  • Computational Mathematics
  • Applied Mathematics

Keywords

  • Crystalline solids
  • Molecular dynamics
  • Multiscale methods

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