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