An efficient three-dimensional adaptive quasicontinuum method using variable-node elements

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A new quasicontinuum (QC) implementation using the so-called "variable-node finite elements" is reported in this work. Tetrahedral elements, which have been exclusively utilized for the conventional QC are replaced by hexahedral elements in conjunction with the so-called variable-node elements. This enables an effective adaptive mesh refinement in QC, leading to fast and efficient simulations compared with the conventional QC. To confirm the solution accuracy, comparison is made for a nanoindentation problem with a molecular dynamics simulation as well as a molecular mechanics solution. Further examples of nanoindentation are shown and discussed to demonstrate the effectiveness of the present scheme. (c) 2009 Elsevier Inc. All rights reserved.
Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
Issue Date
2009-07
Language
English
Article Type
Article
Keywords

FINITE-ELEMENTS; DISLOCATION NUCLEATION; ATOMISTIC SIMULATIONS; INCIPIENT PLASTICITY; NONMATCHING MESHES; NANOINDENTATION; INDENTATION; REFINEMENT; MECHANICS; DEFECTS

Citation

JOURNAL OF COMPUTATIONAL PHYSICS, v.228, no.13, pp.4789 - 4810

ISSN
0021-9991
DOI
10.1016/j.jcp.2009.03.028
URI
http://hdl.handle.net/10203/18002
Appears in Collection
ME-Journal Papers(저널논문)
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