Atomic structure evolution of Zr-Ti and pure Zr during accumulated roll bonding by HA pair analysis

The gradual vitrification evolution of atom mixing and local atomic pairing structure of the binary Zr-Ti alloy and pure Zr during solid-state accumulative roll bonding (ARB) at room temperature is traced numerically by molecular dynamic simulation. It is found that icosahedra and more random clusters will gradually develop with increasing ARB cycles in the Zr-Ti alloy, forming amorphous atomic packing. Following the idea for Zr-Ti, the vitrification of pure Zr layers during ARB is simulated. The crystalline pure Zr can be vitrified in the simulation provided that the rolling speed is high enough and the rolling temperature is maintained at around 300 K.