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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.

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Critical buckling forces versus length of pristine, Stone–Wales (SW)-defected, and single vacancy (SV)-defected armchair (6,6) and zigzag (6,0) SWCNTs.
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Figure 4: Critical buckling forces versus length of pristine, Stone–Wales (SW)-defected, and single vacancy (SV)-defected armchair (6,6) and zigzag (6,0) SWCNTs.

Mentions: Increasing the length of zigzag SWCNTs from 19.23 to 40.61 nm, critical buckling forces of pristine, SW-defected, and SV-defected zigzag SWCNTs rise from 0.41 to 0.72 nN, 0.31 to 0.48 nN, and 0.32 to 0.51 nN, respectively, while critical buckling strains of them decrease from 0.16 to 0.14, 0.1 to 0.06, and 0.1 to 0.07 (Figures 4, 5). Beam-like behaviors of zigzag SWCNTs are ascribed to their relatively high aspect ratios [17].


Effect of Topological Defects on Buckling Behavior of Single-walled Carbon Nanotube
Critical buckling forces versus length of pristine, Stone–Wales (SW)-defected, and single vacancy (SV)-defected armchair (6,6) and zigzag (6,0) SWCNTs.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

Figure 4: Critical buckling forces versus length of pristine, Stone–Wales (SW)-defected, and single vacancy (SV)-defected armchair (6,6) and zigzag (6,0) SWCNTs.
Mentions: Increasing the length of zigzag SWCNTs from 19.23 to 40.61 nm, critical buckling forces of pristine, SW-defected, and SV-defected zigzag SWCNTs rise from 0.41 to 0.72 nN, 0.31 to 0.48 nN, and 0.32 to 0.51 nN, respectively, while critical buckling strains of them decrease from 0.16 to 0.14, 0.1 to 0.06, and 0.1 to 0.07 (Figures 4, 5). Beam-like behaviors of zigzag SWCNTs are ascribed to their relatively high aspect ratios [17].

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