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Continuum‐Atomistic Coupling based on Computational Homogenization
Author(s) -
Ricker Sarah,
Mergheim Julia,
Menzel Andreas,
Steinmann Paul
Publication year - 2008
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.200810565
Subject(s) - homogenization (climate) , statistical physics , finite element method , molecular dynamics , materials science , physics , thermodynamics , quantum mechanics , biodiversity , ecology , biology
The objective of this work is the extension of the classical computational homogenization scheme for continuous micro–structures to the homogenization of atomistic systems. The atomistic setting is simulated by applying the so–called atomistic finite element method. In particular the influence of atomistic defects onto the macroscopic material behavior is highlighted. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)