| A hierarchical computational scheme that links molecular dynamic (MD) simulations to specialized finite-element (FE) microstructurally-based techniques has been used to predict how nanoindentation affects behavior in crystalline gold polycrystals aggregates with random high angle GBs. Displacement profiles from MD simulations of nanoindentation were used to obtain scaling relations, which are based on indented depths, grain-sizes, and grain aggregate distributions. These scaling relations are then used in a microstructurally based finite-element (FE) formulation that accounts for dislocation-density evolution, plastic strains, crystalline structures, grain-sizes, and grain-boundary (GB) Effects. This computational methodology can be used to ascertain inelastic effects pertaining to nanoindentation, such as shear-slip distribution, pressure accumulation, and dislocation-density and slip-rate activation and evolution. |
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