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Theoretical Study on Structural and Elastic Properties of ZnO Nanotubes

Yuan Peng-Fei1, Ding Ze-Jun1 and Ju Xin2

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A theoretical investigation on the structural and elastic properties of ZnO nanotubes is carried out by using atomistic calculations based on an inter-atomic pair potential within the shell-model approach. The calculation results are presented for the bond length, bond angle, radius dilation, strain energy, Young modulus and Poisson ratio as a function of tube radius. For small tube radius these properties depend on the helicity of the tube, while for the tube radius larger than 6.0 Å, they are independent of the tube radius and helicity except for the strain energy which decreases with increasing tube radius.


PACS

62.20.D- Elasticity

61.46.Fg Nanotubes

62.25.-g Mechanical properties of nanoscale systems

Subjects

Nanoscale science and low-D systems

Condensed matter: structural, mechanical & thermal

Dates

Issue 3 (March 2008)

Received 30 November 2007



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