Formulation and optimization of the energy-based blended quasicontinuum method

M. Luskin, C. Ortner, B. Van Koten

Research output: Contribution to journalArticlepeer-review

27 Scopus citations


We formulate an energy-based atomistic-to-continuum coupling method based on blending the quasicontinuum method for the simulation of crystal defects. We utilize theoretical results from Van Koten and Luskin [32] and Ortner and Van Koten [24] to derive optimal choices of approximation parameters (blending function and finite element grid) for microcrack and di-vacancy test problems and confirm our analytical predictions in numerical tests.

Original languageEnglish (US)
Pages (from-to)160-168
Number of pages9
JournalComputer Methods in Applied Mechanics and Engineering
StatePublished - Jan 1 2013


  • Atomistic models
  • Atomistic-to-continuum coupling
  • Coarse graining
  • Quasicontinuum method

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