We propose a new multi-scale simulation scheme which seamlessly combines the conventional molecular dynamics (MD) with the continuum mechanics formulated under the material point method (MPM). In MPM, modified interpolation shape functions are adopted to reduce artificial forces on the background hierarchical grids. The method is applicable to several kinds of potentials including the Lennard-Jones, EAM and a bonding-angle related potential for silicon. Examples of high energy Cu-Cu and Si-Si cluster impact are presented. The kinetic energy of the cluster is the critical process parameters. The evolution of displaced atoms is found to depend on the underlying lattice structures. For the case of Cu-Cu cluster impacts, stacking faults play an important role. The displaced atoms, visualized in the method of “local crystalline order”, propagate in an anisotropic manner. This implies the anisotropy in energy transformation process through impacts with multi interactions among cluster and surface atoms. With the help of the present multi-scale scheme, the computation capacity implemented in a personal computer could reach a system composed of 900 millions atoms. The case of Si-Si cluster impacts is also examined where the damage spreads in a more isotropic manner. For the case of cluster impact on a beam with pre-existing cracks, the high energy impact may seal the crack with amorphous matters and induces an efflux of atoms ahead of the crack mouth, as shown in Figure 1.
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- Multiscale Simulation for High Spped Propagation of Disordered Regions
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