Table. 1 Interface defect statistics

From: Dynamics of growing carbon nanotube interfaces probed by machine learning-enabled molecular simulations

 

Growth conditions

Interface defect statistics

Sim.

\({T}\) (K)

\({k}\) (ns−1)

\({t}_{{{{{{\rm{end}}}}}}}\,\)(ns)

# penta.

# hepta.

\(\left\langle \delta t\right\rangle \,\)(ns)

\(\left\langle \tau \right\rangle \,\)(ns)

1

1300

0.5

852

779

27

0.925

0.082

2

1500

< 10−3

1000

4649

274

0.215

0.028

3

1400

< 10−3

1000

2486

90

0.402

0.036

4

1300

< 8 × 10−4

1283

1288

42

0.996

0.045

5

1200

< 10−3

1000

414

4

2.415

0.053

6

1100

< 5 × 10−4

2000

238

5

8.382

0.061

  1. Data obtained from growth of \(({{{{\mathrm{6,5}}}}})\) single-walled carbon nanotubes (SWCNTs) on Fe55 catalysts at different conditions. Here Sim. represents the different simulations, \(T\) the growth temperature, \(k\) the carbon supply rate and \({t}_{{{{{{\rm{end}}}}}}}\) the growth time. # penta., # hepta. are the number of penta- and heptagons formed during growth, respectively. \(\left\langle \delta t\right\rangle\) and \(\left\langle \tau \right\rangle\) are the expectation values for the time between interface defect formation and interface defect lifetime, respectively. Note that, Sim. 1 corresponds to the growth of the \(({{{{\mathrm{6,5}}}}})\) SWCNTs shown in Fig. 2 while Sim. 2-6 correspond to simulations with a constant number of carbon atoms.
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