Molecular dynamics simulations of heat transfer of single walled carbon nanotubes

2004 ◽  
Vol 2004.17 (0) ◽  
pp. 533-534
Author(s):  
Junishiro SHIOMI ◽  
Yasuhiro IGARASHI ◽  
Shigeo MARUYAMA
Keyword(s):  
Heat Transfer ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

Molecular dynamics of carbon nanobearings

2009 ◽  
Vol 1204 ◽  
Author(s):  
K. Shintani ◽  
N. Arai ◽  
K. Shintani
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Graphene Layer ◽  
Single Walled Carbon Nanotubes ◽  
Single Walled Carbon ◽  
Nanocarbon Materials ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

AbstractA concept of nanoscale bearing structures utilizing nanocarbon materials is presented based on the prediction via molecular dynamics simulations. The proposed mechanism consists of a graphene layer, intercalated single walled carbon nanotubes (SWNTs), and substrate graphenes. It is found that the friction against the movement of the uppermost graphene is smallest for the 1 SWNT model.

The Unravelling of Open-Ended Single Walled Carbon Nanotubes Using Molecular Dynamics Simulations

2011 ◽  
Vol 133 (2) ◽  
Author(s):  
Tarek Ragab ◽  
Cemal Basaran
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Single Walled Carbon Nanotubes ◽  
Atomic Chain ◽  
Single Walled Carbon ◽  
Different Temperatures ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

The unravelling of (10, 10) and (18, 0) single-walled carbon nanotubes (SWCNTs) is simulated using molecular dynamics simulations at different temperatures. Two different schemes are proposed to simulate the unravelling; completely restraining the last atom in the chain and only restraining it in the axial direction. The forces on the terminal atom in the unravelled chain in the axial and radial directions are reported till the separation of the atomic chain from the carbon nanotube structure. The force-displacement relation for a chain structure at different temperatures is calculated and is compared to the unravelling forces. The axial stresses in the body of the carbon nanotube are calculated and are compared to the failure stresses of that specific nanotube. Results show that the scheme used to unravel the nanotube and the temperature can only effect the duration needed before the separation of some or all of the atomic chain from the nanotube, but does not affect the unravelling forces. The separation of the atomic chain from the nanotube is mainly due to the impulsive excessive stresses in the chain due to the addition of a new atom and rarely due to the steady stresses in the chain. From the simulations, it is clear that the separation of the chain will eventually happen due to the closing structure occurring at the end of the nanotube that would not be possible in multiwalled nanotubes.

Sign in / Sign up

Export Citation Format

Share Document