Multiscale simulation of nanoindentation using the generalized interpolation material point (GIMP) method, dislocation dynamics (DD) and molecular dynamics (MD)

J Ma and Y Liu and HB Lu and R Komanduri, CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES, 16, 41-55 (2006).

A multiscale simulation technique coupling three-scales, namely, the molecular dynamics (MD) at the atomistic scale, the discrete dislocations at the meso scale and the generalized interpolation material point (GIMP) method at the continuum scale is presented. Discrete dislocations are first coupled with GIMP using the principle of superposition (van der Giessen and Needleman (1995)). A detection band seeded in the MD region is used to pass the dislocations to and from the MD simulations (Shilkrot, Miller and Curtin (2004)). A common domain decomposition scheme for each of the three scales was implemented for parallel processing. Simulations of indentation were performed on the (111) plane of Cu at 0 degrees K using a cylindrical indenter. The effects of indenter radius and indentation speed on the indentation load-depth curve and nucleation of dislocations were investigated. For simulations at finite temperatures, spatially averaged velocities were used to reduce atom vibrations in the transition region to achieve seamless coupling. Simulations were also performed at different temperatures using a wedge indenter.

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