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Effect of Topological Defects on Buckling Behavior of Single-walled Carbon Nanotube

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ABSTRACT

Molecular dynamic simulation method has been employed to consider the critical buckling force, pressure, and strain of pristine and defected single-walled carbon nanotube (SWCNT) under axial compression. Effects of length, radius, chirality, Stone–Wales (SW) defect, and single vacancy (SV) defect on buckling behavior of SWCNTs have been studied. Obtained results indicate that axial stability of SWCNT reduces significantly due to topological defects. Critical buckling strain is more susceptible to defects than critical buckling force. Both SW and SV defects decrease the buckling mode of SWCNT. Comparative approach of this study leads to more reliable design of nanostructures.

No MeSH data available.


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Buckling behavior of zigzag SWCNT with single vacancy (a) and Stone–Wales (b) defects.
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Figure 2: Buckling behavior of zigzag SWCNT with single vacancy (a) and Stone–Wales (b) defects.

Mentions: SW defect is a topological defect due to 90° rotation of C–C bond and formation of two pentagonal and two heptagonal cells. Another topological defect is SV defect, which is made by omission of one atom from honeycomb structure of CNT (Figures 1, 2).


Effect of Topological Defects on Buckling Behavior of Single-walled Carbon Nanotube
Buckling behavior of zigzag SWCNT with single vacancy (a) and Stone–Wales (b) defects.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211344&req=5

Figure 2: Buckling behavior of zigzag SWCNT with single vacancy (a) and Stone–Wales (b) defects.
Mentions: SW defect is a topological defect due to 90° rotation of C–C bond and formation of two pentagonal and two heptagonal cells. Another topological defect is SV defect, which is made by omission of one atom from honeycomb structure of CNT (Figures 1, 2).

View Article: PubMed Central - HTML - PubMed

ABSTRACT

Molecular dynamic simulation method has been employed to consider the critical buckling force, pressure, and strain of pristine and defected single-walled carbon nanotube (SWCNT) under axial compression. Effects of length, radius, chirality, Stone–Wales (SW) defect, and single vacancy (SV) defect on buckling behavior of SWCNTs have been studied. Obtained results indicate that axial stability of SWCNT reduces significantly due to topological defects. Critical buckling strain is more susceptible to defects than critical buckling force. Both SW and SV defects decrease the buckling mode of SWCNT. Comparative approach of this study leads to more reliable design of nanostructures.

No MeSH data available.


Related in: MedlinePlus