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Three dimensional molecular dynamics (MD) is used to model the mechanical
response at the interface between a thin Cu coating resting on a base of Si. The copper coating
is subjected to a displacement controlled shear load and the atom movements at the Si-Cu
interface are monitored to investigate the effects of crystallographic anisotropy. The two
crystals have the same crystallographic orientation, and two different interface normal
directions are considered. The shear load is applied along different crystallographic directions
to highlight the importance of crystallographic orientation for the mechanical response. The
simulations are performed with the 3D MD free-ware LAMMPS. As the imposed
displacement reaches a high enough magnitude, the Cu coating starts to slide over the Si base.
Thus the atoms at the interface rearrange depending on loading direction and crystallographic
orientation.
Keywords: Cu-coated Si, thin layers, 3D molecular dynamics, shear induced displacements, interface reorganazation, crystallographic anisotropy |
full paper (pdf, 1632 Kb)