The atomistic‐continuum hybrid taxonomy and the hybrid‐hybrid approach | Zendy

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

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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.

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