Effect of Ti & Al addition on the mechanical properties of Cu-Zr based metallic glasses: A molecular dynamic simulation study

Abstract

This thesis presents research using molecular dynamics (MD) simulation techniques to study the mechanical properties of Cu-Zr based metallic glasses. Classical molecular dynamics simulation deformation studies of Cu-Zr (Al, Ti) metallic glasses were performed. The MD simulations were coded in LAMMPS. Owing to the brittle nature of Cu50Zr50, the effect of Al (2 at% and 10 at % respectively) & Ti (2 at% and 6 at % respectively) on the mechanical properties was studied. Addition of Al and Ti significantly improved the mechanical properties of Cu50Zr50 glassy alloy. Mechanical properties were evaluated by subjecting the model alloys to uniaxial tensile deformation at varying strain rates and temperature. It was found that alloys were sensitive to strain rate. There are three strain rates (1×1010, 2×1010 and 4×1010 S-1) at which MD simulations have been done. Also uniaxial tensile deformation has been done at two different temperatures (300K & 500K).