Structural transformations in NiTi shape memory alloy nanowires

Martensitic phase transformation in bulk Nickle-Titanium (NiTi)-the most widely used shape memory alloy-has been extensively studied in the past. However, the structures and properties of nanostructured NiTi remain poorly understood. Here, we perform molecular dynamics simulations to study structural transformations in NiTi nanowires. We find that the tendency to reduce the surface energy in NiTi nanowires can lead to a new phase transformation mechanism from the austenitic B2 to the martensitic B19 phase. We further show that the NiTi nanowires exhibit the pseudoelastic effects during thermo-mechanical cycling of loading and unloading via the B2 and B19 transformations. Our simulations also reveal the unique formation of compound twins, which are expected to dominate the patterning of the nanostructured NiTi alloys at high loads. This work provides the novel mechanistic insights into the martensitic phase transformations in nanostructured shape memory alloy systems. (C) 2014 AIP Publishing LLC.