Abstract
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.
Keywords
SHAPE; SIZE; TRANSITIONS; ZIRCONIUM
Citation
DOI: 10.1103/PhysRevB.81.085429
Date of this Version
2-2010
Recommended Citation
Thompson, Alexander and Strachan, Alejandro, "Complex martensitic nanostructure in Zr nanowires: A molecular dynamics study" (2010). Birck and NCN Publications. Paper 595.
https://docs.lib.purdue.edu/nanopub/595