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The atomistic‐continuum hybrid taxonomy and the hybrid‐hybrid approach
Author(s) -
Alexiadis Alessio,
Lockerby Duncan A.,
Borg Matthew K.,
Reese Jason M.
Publication year - 2014
Publication title -
international journal for numerical methods in engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.421
H-Index - 168
eISSN - 1097-0207
pISSN - 0029-5981
DOI - 10.1002/nme.4646
Subject(s) - hybrid system , taxonomy (biology) , statistical physics , computer science , solver , physics , machine learning , biology , ecology , programming language
SUMMARY 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. Copyright © 2014 John Wiley & Sons, Ltd.