Complex martensitic nanostructure in Zr nanowires: A molecular dynamics study

Alexander Thompson, Purdue University - Main Campus
Alejandro Strachan, Purdue University - Main Campus

Date of this Version



DOI: 10.1103/PhysRevB.81.085429

This document has been peer-reviewed.



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 similar to 6%). 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.


Engineering | Nanoscience and Nanotechnology