Microscopic models for the interaction between grain boundaries and dislocations or cracks were considered with regard to the role which was played by the microstructure in altering the mechanical properties of a material. An existing mixed, atomistic and continuum, method was extended so as to permit the analysis of such interactions. These calculations revealed plausible microscopic mechanisms for these defect interactions, and permitted the quantitative evaluation of critical parameters such as the force required to induce grain-boundary migration.

Quasi-Continuum Models of Interfacial Structure and Deformation. V.B.Shenoy, R.Miller, E.B.Tadmor, R.Phillips, M.Ortiz: Physical Review Letters, 1998, 80[4], 742-5