Nanoscratch behavior of multi-layered films using molecular dynamics

Abstract

Molecular dynamics simulations are performed to study the plastic deformation, stress and chip formation of scratched multi-layered films. The results showed that stick–slip and work-hardening behaviors were observed during the scratching process. There was a pile-up of amorphous disordered debris atoms and shear rupture ahead of the probe and a clear side-flow on the lateral sides of the probe when the probe moved forward. Both the plastic energy and the adhesion increased with an increase in the scratching depth. The glide band of the interface was on the {111}〈110〉 slip system with a maximum width of the glide band of about 1 nm. The strain energy stored in the deformed structure caused a higher stress region in the material in front of the tool edge, with a maximum stress of about 10 GPa. In addition, the mechanical response and thermal softness phenomenon are discussed.