The extended and generalized finite element methods are reviewed with an emphasis on their applications to problems in material science: (1) fracture (2) dislocations (3) grain boundaries and (4) phases interfaces. These methods facilitate the modeling of complicated geometries and the evolution of such geometries, particularly when combined with level set methods, as for example in the simulation growing cracks or moving phase interfaces. The state of the art for these problems is described along with the history of developments.

SUMMARYTwo issues in the extended finite element method (XFEM) are addressed: efficient numerical integration of the weak form when the enrichment function is self-equilibrating and blending of the enrichment. The integration is based on transforming the domain integrals in the weak form into equivalent contour integrals. It is shown that the contour form is computationally more efficient than the domain form, especially when the enrichment function is singular and/or discontinuous. A method for alleviating the errors in the blending elements is also studied. In this method, the enrichment function is pre-multiplied by a smooth weight function with compact support to allow for a completely smooth transition between enriched and unenriched subdomains. A method for blending step function enrichment with singular enrichments is described. It is also shown that if the enrichment is not shifted properly, the weighted enrichment is equivalent to the standard enrichment. An edge dislocation and a crack problem are used to benchmark the technique; the influence of the variables that parameterize the weight function is analyzed. The resulting method shows both improved accuracy and optimum convergence rates and is easily implemented into existing XFEM codes.

SUMMARYA method for treating fluid-structure interaction of fracturing structures under impulsive loads is described. The coupling method is simple and does not require any modifications when the structure fails and allows fluid to flow through openings between crack surfaces. Both the fluid and the structure are treated by meshfree methods. For the structure, a Kirchhoff-Love shell theory is adopted and the cracks are treated by introducing either discrete (cracking particle method) or continuous (partition of unity-based method) discontinuities into the approximation. Coupling is realized by a master-slave scheme where the structure is slave to the fluid. The method is aimed at problems with high-pressure and low-velocity fluids, and is illustrated by the simulation of three problems involving fracturing cylindrical shells coupled with fluids.

SUMMARYIn the extended finite element method (XFEM), errors are caused by parasitic terms in the approximation space of the blending elements at the edge of the enriched subdomain. A discontinuous Galerkin (DG) formulation is developed, which circumvents this source of error. A patch-based version of the DG formulation is developed, which decomposes the domain into enriched and unenriched subdomains. Continuity between patches is enforced with an internal penalty method. An element-based form is also developed, where each element is considered a patch. The patch-based DG is shown to have similar accuracy to the element-based DG for a given discretization but requires significantly fewer degrees of freedom. The method is applied to material interfaces, cracks and dislocation problems. For the dislocations, a contour integral form of the internal forces that only requires integration over the patch boundaries is developed. A previously developed assumed strain (AS) method is also developed further and compared with the DG method for weak discontinuities and linear elastic cracks. The DG method is shown to be significantly more accurate than the standard XFEM for a given element size and to converge optimally, even where the standard XFEM does not. The accuracy of the DG method is similar to that of the AS method but requires less application-specific coding.

SUMMARYA new technique for the modelling of multiple dislocations based on introducing interior discontinuities is presented. In contrast to existing methods, the superposition of infinite domain solutions is avoided; interior discontinuities are specified on the dislocation slip surfaces and the resulting boundary value problem is solved by a finite element method. The accuracy of the proposed method is verified and its efficiency for multi-dislocation problems is illustrated. Bounded core energies are incorporated into the method through regularization of the discontinuities at their edges. Though the method is applied to edge dislocations here, its extension to other types of dislocations is straightforward.

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.

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SUMMARYA method for the modeling of dislocations and cracks by atomistic/continuum models is described. The methodology combines the extended finite element method with the bridging domain method (BDM). The former is used to model crack surfaces and slip planes in the continuum, whereas the BDM is used to link the atomistic models with the continuum. The BDM is an overlapping domain decomposition method in which the atomistic and continuum energies are blended so that their contributions decay to their boundaries on the overlapping subdomain. Compatibility between the continua and atomistic domains is enforced by a continuous Lagrange multiplier field. The methodology allows for simulations with atomistic resolution near crack fronts and dislocation cores while retaining a continuum model in the remaining part of the domain and so a large reduction in the number of atoms is possible. It is applied to the modeling of cracks and dislocations in graphene sheets. Energies and energy distributions compare very well with direct numerical simulations by strictly atomistic models.