Atomistic scale tribological behaviors in nano-grained and single crystal copper systems

The atomistic scale tribological behaviors of nano-grained and single crystal copper systems are comparatively investigated by parallel molecular dynamics (MD) simulations. Material deformation, defect atom densities and wear state are also investigated depending on the grain boundaries, scratching depth and speed during scratching. The results show that grain boundaries have an important effect on nanotribology properties of the nano-grained Cu system. Obvious differences in deformation mechanism and surface groove quality are found between the nano-grained and single crystal Cu systems.