On atomistic-to-continuum coupling by blending

Santiago Badia, Michael Parks, Pavel Bochev, Max Gunzburger, Qrichard Lehouc

Research output: Contribution to journalArticleResearchpeer-review

68 Citations (Scopus)

Abstract

A mathematical framework for the coupling of atomistic and continuum models by blending them over a subdomain subject to a constraint is developed. Using the framework, four classes of atomistic-to-continuum (AtC) blending methods are established, their consistency is studied, and their relative merits are discussed. In addition, the framework helps clarify the origin of ghost forces and formalizes the notion of a patch test. Numerical experiments with the AtC methods are used to illustrate the theoretical results.

Original languageEnglish
Pages (from-to)381-406
Number of pages26
JournalMultiscale Modeling and Simulation
Volume7
Issue number1
DOIs
Publication statusPublished - 7 Nov 2008
Externally publishedYes

Keywords

  • Atomistic
  • Blending methods
  • Continuum coupling
  • Coupling methods
  • Multiscale simulation
  • to

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