Atomic structure evolution of Zr-Ni during severe deformation by HA pair analysis

The gradual vitrification evolution of atom mixing and local atomic pairing structure of the binary Zr-Ni alloy during severe deformation at room temperature is traced numerically by molecular dynamic simulation. It is found that the icosahedra clusters will gradually develop with the increasing of disorder environment of alloys. Other compoundlike transition structures were also observed in transient in the Zr-Ni couple during the solid-state amorphization process under severe plastic deformation. Since the time scale of the molecular dynamic simulation is several orders of magnitude shorter than reality, the simulated atomic evolution can be viewed as that would occur at ultrahigh strain rates.