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From atomistics to the continuum: a mesh‐free quasicontinuum formulation based on local max‐ent approximation schemes
Author(s) -
Kochmann Dennis M.,
Amelang Jeffrey S.,
Español Malena I.,
Ortiz Michael
Publication year - 2011
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201110188
Subject(s) - affine transformation , mathematics , statistical physics , physics , mathematical optimization , computer science , geometry
A novel quasicontinuum formulation based on mesh‐free local maximum‐entropy approximation schemes is presented, whose accuracy (compared to full atomistic simulations) is tunable and, in particular, can be designed superior to conventional affine approximation schemes. (© 2011 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)