Self-repairing in single-walled carbon nanotubes by heat treatment

Details Self-repairing in single-walled carbon nanotubes by heat treatment Self-repairing in single-walled carbon nanotubes by heat treatment

2010-07-26

arxiv.org/abs/1007.4406v1

J. Appl. Phys. 108, 054303 (2010)

Physics

Condensed Matter

Materials Science

accepted by Journal of Applied Physics

Scientific paper

10.1063/1.3481004

Structure transformation by heat treatment in single-walled carbon nanotubes (SWCNT) is investigated using molecular dynamics simulation. The critical temperature for the collapse of pure SWCNT is as high as 4655 K due to strong covalent carbon-carbon bonding. Above 2000 K, the cross section of SWCNT changes from circle to ellipse. The self-repairing capability is then investigated and two efficient processes are observed for the SWCNT to repair themselves. (1) In the first mechanism, vacancy defects aggregate to form a bigger hole, and a bottleneck junction is constructed nearby. (2) In the second mechanism, a local curvature is generated around the isolate vacancy to smooth the SWCNT. Benefit from the powerful self-repairing capability, defective SWCNT can seek a stable configuration at high temperatures; thus the critical temperature for collapse is insensitive to the vacancy defect density.

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