Stress-Induced Wurtzite to Hexagonal Phase Transformation in Zinc Oxide Nanowires
- Authors
- Lee, Eung-Kwan; Choi, Heechae; Chung, Yong-Chae
- Issue Date
- Dec-2011
- Publisher
- AMER SCIENTIFIC PUBLISHERS
- Keywords
- Stress-Induce Phase Transformation; Zinc Oxide; Molecular Dynamics; Nanowires
- Citation
- JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.11, no.12, pp.10595 - 10598
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
- Volume
- 11
- Number
- 12
- Start Page
- 10595
- End Page
- 10598
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/166985
- DOI
- 10.1166/jnn.2011.4063
- ISSN
- 1533-4880
- Abstract
- The stress-induced wurtzite to hexagonal phase transformation in [01 (1) over bar0) 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 {0 (1) over bar 11} twinning boundaries. During the phase transformation, the wurtzite and hexagonal phases were clearly separated by the {0 (1) over bar 11} 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 NiAl. As the result of the [01 (1) over bar0] tensile loading of the ZnO nanowires, the hexagonal phase was obtained.
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