| The quasicontinuum method is reformulated from an atomistic perspective. This allows for the simultaneous treatment of grain boundaries, cracks and other interfaces. The interaction of grain boundaries with an applied stress is investigated and a critical stress for the motion of the boundary is obtained. The interaction of dislocations with grain boundaries is investigated where the dislocation absorption and pile up formation are observed. The quasicontinuum method is then extended to include thermal effects. Next, a dynamic formulation is developed at zero Kelvin and applied to problems of dynamic nanoindentation and dynamic loading of cracks. Suggestions are then made for extending the quasicontinuum method to include nonequilibrium dynamics. |
