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Structure-dependent mechanical properties of ultrathin zinc oxide nanowires.

Lee WJ, Chang JG, Ju SP, Weng MH, Lee CH - Nanoscale Res Lett (2011)

Bottom Line: As the width of the nanowire decreases, Young's modulus, stress-strain behavior, and yielding stress all increase.In addition, the yielding strength and Young's modulus of Type III are much lower than the other two types, because Type I and II have prominent edges on the cross-section of the nanowire.These results indicate that the ultrathin nanowire possesses very high malleability.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-sen University Kaohsiung, 804, Taiwan. jushin-pon@mail.nsysu.edu.tw.

ABSTRACT
Mechanical properties of ultrathin zinc oxide (ZnO) nanowires of about 0.7-1.1 nm width and in the unbuckled wurtzite (WZ) phase have been carried out by molecular dynamics simulation. As the width of the nanowire decreases, Young's modulus, stress-strain behavior, and yielding stress all increase. In addition, the yielding strength and Young's modulus of Type III are much lower than the other two types, because Type I and II have prominent edges on the cross-section of the nanowire. Due to the flexibility of the Zn-O bond, the phase transformation from an unbuckled WZ phase to a buckled WZ is observed under the tensile process, and this behavior is reversible. Moreover, one- and two-atom-wide chains can be observed before the ZnO nanowires rupture. These results indicate that the ultrathin nanowire possesses very high malleability.

No MeSH data available.


Related in: MedlinePlus

Atomic configurations of Type I under uniaxial loading. (a) and (b)-(c) show the corresponding snapshots and its cross-section side views of Type I at strain of 33.00%.
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Figure 6: Atomic configurations of Type I under uniaxial loading. (a) and (b)-(c) show the corresponding snapshots and its cross-section side views of Type I at strain of 33.00%.

Mentions: Comparing Types I-III, although the tendencies of the stress-strain curve of Type II and III are similar, the maximum strength of Type III is much lower than Type I and II. This is because the cross-section structure of Type III does not have any prominent edge, and therefore a lower stress. In addition, the phase transformation of Type III is generated on the whole ZnO nanowire uniformly as shown in Figure 6. This can clearly seen by the different cross-section side views of Type III in Figure 6b,c. As a result, tensile strength and Young's modulus of Type I and II are much higher than that of Type III.


Structure-dependent mechanical properties of ultrathin zinc oxide nanowires.

Lee WJ, Chang JG, Ju SP, Weng MH, Lee CH - Nanoscale Res Lett (2011)

Atomic configurations of Type I under uniaxial loading. (a) and (b)-(c) show the corresponding snapshots and its cross-section side views of Type I at strain of 33.00%.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211442&req=5

Figure 6: Atomic configurations of Type I under uniaxial loading. (a) and (b)-(c) show the corresponding snapshots and its cross-section side views of Type I at strain of 33.00%.
Mentions: Comparing Types I-III, although the tendencies of the stress-strain curve of Type II and III are similar, the maximum strength of Type III is much lower than Type I and II. This is because the cross-section structure of Type III does not have any prominent edge, and therefore a lower stress. In addition, the phase transformation of Type III is generated on the whole ZnO nanowire uniformly as shown in Figure 6. This can clearly seen by the different cross-section side views of Type III in Figure 6b,c. As a result, tensile strength and Young's modulus of Type I and II are much higher than that of Type III.

Bottom Line: As the width of the nanowire decreases, Young's modulus, stress-strain behavior, and yielding stress all increase.In addition, the yielding strength and Young's modulus of Type III are much lower than the other two types, because Type I and II have prominent edges on the cross-section of the nanowire.These results indicate that the ultrathin nanowire possesses very high malleability.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-sen University Kaohsiung, 804, Taiwan. jushin-pon@mail.nsysu.edu.tw.

ABSTRACT
Mechanical properties of ultrathin zinc oxide (ZnO) nanowires of about 0.7-1.1 nm width and in the unbuckled wurtzite (WZ) phase have been carried out by molecular dynamics simulation. As the width of the nanowire decreases, Young's modulus, stress-strain behavior, and yielding stress all increase. In addition, the yielding strength and Young's modulus of Type III are much lower than the other two types, because Type I and II have prominent edges on the cross-section of the nanowire. Due to the flexibility of the Zn-O bond, the phase transformation from an unbuckled WZ phase to a buckled WZ is observed under the tensile process, and this behavior is reversible. Moreover, one- and two-atom-wide chains can be observed before the ZnO nanowires rupture. These results indicate that the ultrathin nanowire possesses very high malleability.

No MeSH data available.


Related in: MedlinePlus