Table 11 MD buckling results for SWCNTs with \(L/d\) ≤ 10 under torsion109.

From: Analyzing fine scaling quantum effects on the buckling of axially-loaded carbon nanotubes based on the density functional theory and molecular mechanics method

SWCNT (5, 5)

SWCNT (10, 10)

SWCNT (15, 15)

SWCNT (20, 20)

D = 0.678 nm

D = 1.356 nm

D = 2.034 nm

D = 2.713 nm

\(L/d\)

\({{\text{T}}}_{cr}\) (nN-nm)

\({\uptheta }_{cr}\) (rad)

\(L/d\)

\({{\text{T}}}_{cr}\) (nN-nm)

Θcr (rad)

\(L/d\)

\({{\text{T}}}_{cr}\) (nN-nm)

\({\uptheta }_{cr}\) (rad)

\(L/d\)

\({{\text{T}}}_{cr}\) (nN-nm)

\({\uptheta }_{cr}\) (rad)

2.0

16.0

0.5760

1.0

43.6

0.2007

1.0

53.3

0.1222

1.5

46.0

0.0960

3.1

11.2

0.6371

1.5

30.6

0.2269

1.4

43.8

0.1396

1.8

42.0

0.1047

4.2

8.9

0.6894

2.1

24.6

0.2531

1.6

39.1

0.1484

2.0

39.2

0.1135

4.9

8.0

0.7330

2.4

22.9

0.2793

2.0

35.3

0.1658

2.2

38.7

0.1222

6.0

7.2

0.8116

3.0

20.2

0.3054

2.4

31.0

0.1745

2.6

36.8

0.1309

7.0

6.7

0.8988

3.5

19.5

0.3491

2.7

27.8

0.1833

3.0

31.7

0.1396

8.1

6.5

0.9948

4.1

18.5

0.3841

3.0

26.7

0.1920

3.5

29.0

0.1484

8.9

6.3

1.0646

4.4

16.8

0.3843

3.3

24.6

0.2007

3.8

28.4

0.1571

9.9

6.2

1.1694

5.0

14.8

0.3844

4.0

22.6

0.2270

4.0

27.7

0.1658

   

6.1

12.5

0.4014

4.6

21.8

0.2531

4.5

26.3

0.1745

   

7.0

11.2

0.4189

5.0

20.9

0.2618

   
   

7.5

10.8

0.4363

5.4

20.8

0.2793

   
   

8.0

10.4

0.4538

6.0

19.0

0.2880

   
   

9.0

9.9

0.4800

6.7

16.8

0.2881

   
   

10.0

9.6

0.5236

      
   

20.0

8.4

0.9250