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

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

doi:10.1002/nme.4646

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

Chemical Engineering

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	534-546
Number of pages	13
Journal	International Journal for Numerical Methods in Engineering
Volume	98
Issue number	7
DOIs	https://doi.org/10.1002/nme.4646
Publication status	Published - 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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https://doi.org/10.1002/nme.4646Licence: None: All rights reserved

Cite this

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AU - Reese, Jason M.

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KW - Atomistic-continuum hybrid methods

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KW - Molecular dynamics

KW - Nanofluidics

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

Abstract

Keywords

ASJC Scopus subject areas

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