Surface composition effects on martensitic phase transformations in nickel aluminium nanowires

Atomistic simulations are utilized to quantify the effects of surface composition on stress-induced B2 to body centred tetragonal (BCT) martensitic phase transformations in intermetallic nickel aluminium (NiAl) nanowires. The simulations show that the phase transformation is observed in all considered cases, regardless of the material composition of the transverse {100} surfaces of the initially B2 wires. The results indicate that, for ?100? oriented B2 wires with {100} transverse surfaces, the {100} orientation and not the material composition of the {100} surfaces is the dominant factor in controlling the ability of NiAl alloys to undergo martensitic phase transformations at nanometer scales.