Structural Properties of ZnO Nanotubes Under Uniaxial Strain: Molecular Dynamics Simulations

Kilic M. E., ERKOÇ Ş.

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, vol.13, no.10, pp.6597-6610, 2013 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 13 Issue: 10
  • Publication Date: 2013
  • Doi Number: 10.1166/jnn.2013.7207
  • Journal Name: JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.6597-6610
  • Middle East Technical University Affiliated: Yes

Abstract

Structural properties of zinc oxide nanotubes with zigzag, armchair and chiral geometries have been investigated by performing classical molecular dynamics simulations. An atomistic potential energy function has been used to represent the interactions among the atoms. Strain has been applied to the generated ZnO nanostructures along their length, which has been realized at two different temperatures, 1 K and 300 K. It has been found that ZnO nanostructures following strain application undergo a structural change depending on temperature, geometry and tube radius.