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

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

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

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 - 19 Feb 2014

Keywords

  • Atomistic-continuum hybrid methods
  • Computational fluid dynamics
  • Microfluidics
  • Molecular dynamics
  • Nanofluidics

ASJC Scopus subject areas

  • Engineering(all)
  • Applied Mathematics
  • Numerical Analysis

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