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An adaptive multiscale method for quasi-static crack growth

Budarapu, Pattabhi R., Gracie, Robert, Bordas, Stephane Pierre Alain ORCID: and Rabczuk, Timon 2014. An adaptive multiscale method for quasi-static crack growth. Computational Mechanics 53 (6) , pp. 1129-1148. 10.1007/s00466-013-0952-6

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This paper proposes an adaptive atomistic- continuum numerical method for quasi-static crack growth. The phantom node method is used to model the crack in the continuum region and a molecular statics model is used near the crack tip. To ensure self-consistency in the bulk, a virtual atom cluster is used to model the material of the coarse scale. The coupling between the coarse scale and fine scale is realized through ghost atoms. The ghost atom positions are interpolated from the coarse scale solution and enforced as boundary conditions on the fine scale. The fine scale region is adaptively enlarged as the crack propagates and the region behind the crack tip is adaptively coarsened. An energy criterion is used to detect the crack tip location. The triangular lattice in the fine scale region corresponds to the lattice structure of the (111) plane of an FCC crystal. The Lennard-Jones potential is used to model the atom–atom interactions. The method is implemented in two dimensions. The results are compared to pure atomistic simulations; they show excellent agreement.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Advanced Research Computing @ Cardiff (ARCCA)
Subjects: T Technology > TA Engineering (General). Civil engineering (General)
Publisher: Springer Verlag
ISSN: 0178-7675
Last Modified: 01 Nov 2022 10:42

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