Research Papers

Effect of Inter-Defect Interaction on Tensile Fatigue Behavior of a Single-Walled Carbon Nanotube With Stone–Wales Defects

[+] Author and Article Information
Z. R. Zhou

Research Fellow
School of Mechanical and
Aerospace Engineering,
Nanyang Technological University,
50 Nanyang Avenue,
Singapore 639798
e-mail: zhou0096@e.ntu.edu.sg

K. Liao

Department of Aerospace Engineering,
Khalifa University of Science,
Technology, and Research,
P.O. Box 127788,
Abu Dhabi, United Arab Emirates
e-mail: kin.liao@kustar.ac.ae

1Corresponding author.

Manuscript received February 19, 2012; final manuscript received November 5, 2012; accepted manuscript posted January 31, 2013; published online July 12, 2013. Assoc. Editor: Daining Fang.

J. Appl. Mech 80(5), 051005 (Jul 12, 2013) (6 pages) Paper No: JAM-12-1075; doi: 10.1115/1.4023536 History: Received February 19, 2012; Revised November 05, 2012; Accepted January 31, 2013

A refined molecular life prediction scheme for single-walled carbon nanotubes (SWCNTs), taking into consideration C–C bond rotation and preexisting strain under mechanical loads, is proposed. The time-dependent fracture behavior of 12 different cases of zigzag (18,0) SWCNT, each embedded with either a single Stone–Wales (SW) defect of different types or two interacting or noninteracting defects, is studied under axially applied tensile load. It is shown that the patterns of atomistic crack propagation and fatigue lives of SWCNTs are influenced by the type and orientation of the SW defect(s), inter-defect distance, as well as the magnitude of externally applied stress. For SWCNTs with two SW defects, if the inter-defect distance is within the so called indifference length, defect-defect interaction does exist, and it has pronounced effects on diminishing the lives of the nanotubes. Also, the defect-defect interaction is stronger at shorter inter-defect distance, resulting in shorter fatigue lives.

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Grahic Jump Location
Fig. 3

Graphs of E/eV of 12 zigzag (18,0) SWCNTs of the same length with or without defects at zero nominal strain. Four filled rectangles (▪) denote E of four SWCNTs embedded with A1-B defect pairs from D0 to D3; four filled circles (•) denote E of four SWCNTs embedded with A1-A2 defect pairs from D0 to D3. The dotted lines linking up these data points indicate the trend of E with an increase of D. Four horizontal lines represent E of SWCNTs with a single or no defect.

Grahic Jump Location
Fig. 2

Schematic molecular models of zigzag (18,0) SWCNTs with different types of SW defects: (a) A1 defect, (b) A2 defect, (c) B defect, (d) A1-A2 defect pair with a distance D1 between two them, and (e) A1-B defect pair with a distance of D3 between them. The bond with highest bond energy E within each SWCNT is indicated by an arrow—these are the first C–C bonds to be broken.

Grahic Jump Location
Fig. 1

Schematic diagram of cross-sectional area of two SWCNTs in a bundle. Solid curves are SWCNTs with radius r, and the area within a dash curve approximates cross-sectional area of an SWCNT, π(r+h)2.

Grahic Jump Location
Fig. 4

Schematics of propagation of atomic-sized crack on (18,0) SWCNT embedded with single or defect-pair under high or low tensile stress. (a) A1 defect under full stress range; (b) A2 defect under full stress range; (c) B defect under high stress (≥6.3 GPa); (d) B defect under low stress (<6.3 GPa); (e) A1-A2/D1 defect-pair under high stress (≥7.2 GPa); (f) A1-A2/D1 defect-pair under low stress (<7.2 GPa); (g) A1-A2/D0 (D0 = 0) defect-pair under high stress (≥11.8 GPa); (h) A1-A2/D0 (D0 = 0) defect-pair (D0 = 0) under low stress (<11.8 GPa); (i) A1-B/D3 defect-pair under high stress (≥6.3 GPa); (j) A1-B/D3 defect-pair under low stress (<6.3 GPa); (k) A1-B/D1 defect-pair under high stress (≥6.5 GPa); (l) A1-B/D1 defect-pair under low stress (<6.5 GPa).

Grahic Jump Location
Fig. 5

Five stress-life (S-N) curves of zigzag (18,0) SWCNTs without defects and with A1, A2, A1-A2/D0, and A1-A2/D1, named by Curves 0, 1, 2, 3, and 4, respectively. Hollow circles on the curves highlight inflection points or intersection. Solid circles are S-N data from static fatigue tests of SWCNT ropes from Ref. [35].

Grahic Jump Location
Fig. 6

Five stress-life (S-N) curves of zigzag (18,0) SWCNTs without defects and with A1, B, A1-B/D1, and A1-B/D3, named by Curves 0, 1, 5, 6, and 7, respectively. Hollow circles on the curves highlight inflection points of curves or intersection of both curves. Solid circles are S-N data from static fatigue tests of SWCNT ropes from Ref. [35].



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