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

Research output: Contribution to journalArticle

Authors

Colleges, School and Institutes

External organisations

  • THE UNIVERSITY OF WARWICK
  • STRATHCLYDE UNIVERSITY
  • EDINBURGH UNIVERSITY

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.

Details

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

Keywords

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