The atomistic-continuum hybrid taxonomy and the hybrid-hybrid approach

Alessio Alexiadis*, Duncan A. Lockerby, Matthew K. Borg, Jason M. Reese

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The hybrid taxonomy a means of characterizing different atomistic-continuum methods on the basis of the type of information exchanged between the atomistic and the continuum solver is introduced. The formulation of the taxonomy raises a new hybrid possibility, called a hybrid-hybrid' method. Some examples of hybrid-hybrid simulations for dense fluids are discussed and validated against full molecular dynamics results.

Original languageEnglish
Pages (from-to)534-546
Number of pages13
JournalInternational Journal for Numerical Methods in Engineering
Volume98
Issue number7
DOIs
Publication statusPublished - 18 May 2014

Keywords

  • microfluidics
  • nanofluidics
  • atomistic-continuum hybrid methods
  • molecular dynamics
  • computational fluid dynamics
  • numerical methods
  • coupled solvers

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