title: Stress-induced wurtzite to hexagonal phase transformation in zinc oxide nanowires.
abstract: The stress-induced wurtzite to hexagonal phase transformation in [0110] oriented zinc oxide nanowires were investigated using a molecular dynamics simulation and reactive force field potentials. The yield strength of the 2.13 x 1.93 nm wurtzite nanowires is 12 GPa at 50 K. The wurtzite to hexagonal phase transformation was successfully observed at stress plateaus (5-5.5 GPa at 50 K) located after the yield point of the wurtzite phase. The wurtzite to hexagonal phase transformation was a result of the propagation of {0111} twinning boundaries. During the phase transformation, the wurtzite and hexagonal phases were clearly separated by the {0111} twinning boundaries. To analyze the difference between ceramic and metallic systems, all the calculation data of wurtzite to hexagonal transformation were compared with stress-induced phase transformation in metallic nanowires such as CuZr and NiA1. As the result of the [0110] tensile loading of the ZnO nanowires, the hexagonal phase was obtained.
authors.affiliation: Department of Materials Science and Engineering, Hanyang University, Seoul 133-791, Korea.
authors.forename: Eung-Kwan
authors.initials: EK
authors.lastname: Lee
authors.forename: Heechae
authors.initials: H
authors.lastname: Choi
authors.forename: Yong-Chae
authors.initials: YC
authors.lastname: Chung