eprintid: 2650 rev_number: 7 eprint_status: archive userid: 71 dir: disk0/00/00/26/50 datestamp: 2015-03-27 10:54:35 lastmod: 2016-03-18 10:43:50 status_changed: 2015-03-27 10:54:35 type: article metadata_visibility: show creators_name: Budarapu, Pattabhi R. creators_name: Gracie, Robert creators_name: Bordas, Stéphane P.A. creators_name: Rabczuk, Timon creators_id: pattabhi.budarapu@imtlucca.it creators_id: creators_id: creators_id: title: An adaptive multiscale method for quasi-static crack growth ispublished: pub subjects: TA divisions: CSA full_text_status: none keywords: Multiscale; Adaptivity; Refinement; Coarsening; Phantom node method; Molecular statics; Virtual atom cluster. abstract: 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. date: 2014-06 publication: Computational Mechanics volume: 53 number: 6 publisher: Springer pagerange: 1129-1148 id_number: 10.1007/s00466-013-0952-6 refereed: TRUE issn: 0178-7675 official_url: http://dx.doi.org/10.1007/s00466-013-0952-6 citation: 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)