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

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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
Issue number7
Publication statusPublished - 19 Feb 2014


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