Add to ORKGThe closing mechanism of zigzag single-walled carbon nanotubes (SWCNT) was investigated using the molecular dynamics (MD) simulation at the experimental arcdischarge temperature of 3000 K. The (10,0) SWCNT with a diameter of 0.78 nm showed a dome-shape tip which evolved into a saddle-shaped cap that was caused by double heptagon-octagon pairs. In the case of (18,0) SWCNT with a diameter of 1.404 nm, a zipper-like closing mechanism was observed and the flat cap was obtained
Using state-of-the-art electron microscopy, we demonstrate that high-energy electron irradiation at ...
Simulations of single-wall carbon nanotube(SWCNT)s having a different chiral vector under axial comp...
We present Monte Carlo simulations of chains of C-70 molecules encapsulated in a single-walled carbo...
The uncatalyzed edge growth of carbon nanotubes was investigated by first-principles molecular dynam...
The formation mechanism of single-walled carbon nanotubes (SWNTs) was studied with the molecular dyn...
The energetics of small zigzag carbon nanotubes at high temperature regime (T = 2500 K) is investiga...
The buckling characteristics of several curved forms of single walled carbon nanotubes (SWCNTs) were...
The effect of temperature on the tensile behavior of the armchair (6, 6) single-walled carbon nanotu...
The axial coefficients of thermal expansion (CTE) of various carbon nanotubes (CNTs), i.e., single-w...
The mechanical characteristics of single-walled carbon nanotubes (SWCNTs) with an axial curvature of...
Various mechanical properties of single-walled carbon nanotubes (SWCNT) and double-walled carbon nan...
We use molecular dynamics and simple thermodynamic arguments to model the interaction between cataly...
The molecular dynamics method, based on an empirical potential energy surface, was used to study the...
Classical molecular dynamics simulations have been employed to investigate the behaviour of a relati...
This study employs the Modified Embedded Atom Method with Bond Order (MEAM-BO) atomic potential as f...
Using state-of-the-art electron microscopy, we demonstrate that high-energy electron irradiation at ...
Simulations of single-wall carbon nanotube(SWCNT)s having a different chiral vector under axial comp...
We present Monte Carlo simulations of chains of C-70 molecules encapsulated in a single-walled carbo...
The uncatalyzed edge growth of carbon nanotubes was investigated by first-principles molecular dynam...
The formation mechanism of single-walled carbon nanotubes (SWNTs) was studied with the molecular dyn...
The energetics of small zigzag carbon nanotubes at high temperature regime (T = 2500 K) is investiga...
The buckling characteristics of several curved forms of single walled carbon nanotubes (SWCNTs) were...
The effect of temperature on the tensile behavior of the armchair (6, 6) single-walled carbon nanotu...
The axial coefficients of thermal expansion (CTE) of various carbon nanotubes (CNTs), i.e., single-w...
The mechanical characteristics of single-walled carbon nanotubes (SWCNTs) with an axial curvature of...
Various mechanical properties of single-walled carbon nanotubes (SWCNT) and double-walled carbon nan...
We use molecular dynamics and simple thermodynamic arguments to model the interaction between cataly...
The molecular dynamics method, based on an empirical potential energy surface, was used to study the...
Classical molecular dynamics simulations have been employed to investigate the behaviour of a relati...
This study employs the Modified Embedded Atom Method with Bond Order (MEAM-BO) atomic potential as f...
Using state-of-the-art electron microscopy, we demonstrate that high-energy electron irradiation at ...
Simulations of single-wall carbon nanotube(SWCNT)s having a different chiral vector under axial comp...
We present Monte Carlo simulations of chains of C-70 molecules encapsulated in a single-walled carbo...