Influence of chemical composition on nanoindentation behavior of Zr-Al-Ni-Cu metallic glasses: An experimental and molecular dynamics approach

• Hardness and elastic modulus of Zr x (Al 0.25 Ni 0.25 Cu 0.5 ) 100− x bulk metallic glasses decrease with increasing Zr content. • Molecular dynamics simulations reproduce experimental nanoindentation load–displacement behavior. • Plasticity initiates via shear transformation zones beneath the indenter. • Lateral atomic flow and pile-up indicate localized and homogeneous deformation. • Higher Zr content increases free volume and reduces atomic packing efficiency. A combined experimental and molecular dynamic simulation method was employed to reveal the nanoindentation behavior and atomic-scale deformation mechanisms of Zr x (Al 0.25 Ni 0.25 Cu 0.5 ) 100− x bulk metallic glasses. Bulk metallic glass samples…

• NN
  National Natural Science Foundation of China
• KR
  Key Research and Development Program of Zhejiang Province