Journal of Shanghai University(Natural Science Edition) ›› 2014, Vol. 20 ›› Issue (3): 362-367.doi: 10.3969/j.issn.1007-2861.2013.07.014

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Buckling Behavior of Carbon Nanotubes Filled Atoms

CHEN Hao1, SHI Dong-li1,2   

  1. 1. Shanghai Institute of Applied Mathematics and Mechanics, Shanghai University, Shanghai 200072, China;
    2. College of Sciences, Shanghai University, Shanghai 200444, China
  • Received:2013-06-05 Online:2014-06-26 Published:2014-06-26

Abstract: This paper presents the simulation of axial compression of single-walled carbon nanotubes (CNTs) filled with copper atoms. The effect of the filled atoms’ position on buckling behavior of perfect CNTs and defective CNTs is studied. It has been shown that the position of filled atoms has no effect on the buckling strain of perfect CNTs, but affects the buckling position. For CNTs with single atomic defect, the relative position of defect and filled atoms significantly affect the buckling behavior of CNTs.

Key words: buckling, filled atom, molecular dynamics method, defect, single-walled carbon nanotube

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