An interatomic potential for studying CuZr bulk metallic glasses

The mechanical properties of BMGs are remarkably different from the ones of ordinary metallic alloys due to the atomic level disorder in the glassy state. Unlike crystalline materials plastic deformation in metallic glasses cannot be caused by lattice defects but takes place through atomic-scale deformation events and may furthermore involve localization through formation of shear bands.

In this paper, an Effective Medium Theory (EMT) potential optimized for modeling the mechanical and thermodynamic properties of CuZr bulk metallic glass is studied. The late transition metals crystallizing in close-packed structures, and their alloys, while still allowing simulations with millions of atoms is discussed.