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 language | English |
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Pages (from-to) | 534-546 |
Number of pages | 13 |
Journal | International Journal for Numerical Methods in Engineering |
Volume | 98 |
Issue number | 7 |
DOIs | |
Publication status | Published - 19 Feb 2014 |
Keywords
- Atomistic-continuum hybrid methods
- Computational fluid dynamics
- Microfluidics
- Molecular dynamics
- Nanofluidics
ASJC Scopus subject areas
- General Engineering
- Applied Mathematics
- Numerical Analysis