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An adaptive multiscale method for quasi-static crack growth

Budarapu, Pattabhi R. and Gracie, Robert and Bordas, Stéphane P.A. and Rabczuk, Timon An adaptive multiscale method for quasi-static crack growth. Computational Mechanics, 53 (6). pp. 1129-1148. ISSN 0178-7675 (2014)

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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
Identification Number: 10.1007/s00466-013-0952-6
Uncontrolled Keywords: Multiscale; Adaptivity; Refinement; Coarsening; Phantom node method; Molecular statics; Virtual atom cluster.
Subjects: T Technology > TA Engineering (General). Civil engineering (General)
Research Area: Computer Science and Applications
Depositing User: Users 71 not found.
Date Deposited: 27 Mar 2015 10:54
Last Modified: 18 Mar 2016 10:43
URI: http://eprints.imtlucca.it/id/eprint/2650

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