Coupled Atomistic/Continuum Discrete Dislocation Modeling of Nanoscratching

A dynamic multiscale simulation method has been developed to study the material scratching processes on nanoscale single crystals. The model simultaneously captures the atomistic mechanisms near the free surface and the long range mobility of dislocations and their interactions, without the computational cost of full atomistic simulations. The method also permits the simulation of system sizes that are approaching experimentally accessible systems, albeit in 2D. Simulations are performed on single crystal aluminum to study the atomistic details, surface evolution, and generation and propagation of dislocations for a variety of scratching depths at room temperature. Simulations demonstrate the power of the developed method in capturing both long-range dislocation plasticity and short-range atomistic phenomena during tool advance. Variations of scratching normal and tangential forces are investigated and related to plastic deformation and dislocations generation during the simulation process.