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Combining 3D Discrete Dislocation Dynamics and Molecular Dynamics into a Concurrent Multiscale Model

Steffen Brinckmann (Max-Planck Institut Düsseldorf)

Discrete Dislocation Plasticity

Mon 4:20 - 5:40

Barus-Holley 157

Engineering surfaces have an intrinsic surface roughness due to machining. At these notches, short cracks can initiate and grow, which finally leads to structural failure. To fundamentally understand short cracks, a multiscale model is warranted, which accounts for fracture on the atomistic level, while covering plasticity on a micrometer length scale. Multiple multiscale models exist which cover these intrinsic length scales: atomistic detail at the crack tip using Molecular Dynamics and Discrete Dislocation Plasticity to account for the micrometer-size plastic zone. In the past, these models were restricted to 2D configurations, which limited their applicability. In this contribution a three-dimensional concurrent multiscale model of Molecular and Dislocation Dynamics is introduced and applied to microscale plasticity around a short penny-shaped notch which is located at the free surface. Since this contribution is the first-time presentation of the three-dimensional model AtoDis, a full description of the mechanical model, especially at the interface between both domains is given. The talk will close with remaining challenges in the current model implementation.