Theory-based benchmarking of the blended force-based quasicontinuum method

Xingjie Helen Li, Mitchell Luskin, Christoph Ortner, Alexander V. Shapeev

Research output: Contribution to journalArticlepeer-review

19 Scopus citations

Abstract

We formulate an atomistic-to-continuum coupling method based on blending atomistic and continuum forces. Our precise choice of blending mechanism is informed by theoretical predictions. We present a range of numerical experiments studying the accuracy of the scheme, focusing in particular on its stability. These experiments confirm and extend the theoretical predictions, and demonstrate a superior accuracy of B-QCF over energy-based blending schemes.

Original languageEnglish (US)
Pages (from-to)763-781
Number of pages19
JournalComputer Methods in Applied Mechanics and Engineering
Volume268
DOIs
StatePublished - Jan 1 2014

Keywords

  • Atomistic to continuum
  • Embedded atom model
  • Error analysis
  • Quasi-nonlocal
  • Quasicontinuum

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