We use molecular dynamics to characterize the martensitic nanostructure that develops when bcc Zr nanowires are cooled down and transform to hcp (martensite). We find that size has a strong effect on nanostructure and even very small wires (a few nanometers in diameter) exhibit complex, multidomain structures with large internal strains (up to $\sim 6\mathrm{\%}$). Long and thin wires result in domains coexisting along their axes while those with small aspect ratios exhibit coexistence of domains within their cross-section. We also that find regions of fcc Zr that develop to bridge neighboring hcp domains.

• Received 17 February 2009

DOI:https://doi.org/10.1103/PhysRevB.81.085429