WAVY-SHAPED DEFORMATION ANALYSIS OF MULTI-WALLED CARBON NANOTUBES USING MOLECULAR DYNAMICS METHOD

2014 ◽  
Vol 70 (2) ◽  
pp. I_25-I_32
Author(s):  
Ikuyo KOIKE ◽  
Ayako KUSANO ◽  
Motohiro SATO ◽  
Yoshitaka UMENO ◽  
Hiroyuki SHIMA
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Method ◽  
Deformation Analysis ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes ◽  
Dynamics Method

Nanowelding of Single Walled Carbon Nanotubes onto Electrodes Using Molecular Dynamics Method

2014 ◽  
Vol 527 ◽  
pp. 13-16
Author(s):  
Xuan Liu ◽  
Ze Liu ◽  
Pu Sun ◽  
Ya Rong Wang ◽  
Ying Wu
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Welding Process ◽  
Single Walled Carbon Nanotubes ◽  
Molecular Dynamics Method ◽  
Single Walled Carbon ◽  
Different Temperatures ◽  
Set Up ◽  
Walled Carbon Nanotubes ◽  
Dynamics Method

Nanowelding system is set up to investigate the welding process of nickel electrodes to single walled carbon nanotubes (SWCNTs) with molecular dynamics method. This system consists of C-C, C-Ni, Ni-Ni subsystems. The interaction of C-C, C-Ni Ni-Ni are modeled by adaptive intermolecular reactive empirical bonder order (AIREBO) potential, Lennard-Jones (LJ) potential, as well as embedded atomic method (EAM) model respectively. The dynamic process of nanowelding at different temperatures and times is analyzed and described completely at atomistic length scales. The simulation results indicate that the nanowelding could be accomplished at 1450k which is far lower than the melting point of nickel.

SINGLE WALL BAMBOO SHAPED CARBON NANOTUBE: A MOLECULAR DYNAMICS AND ELECTRONIC STUDY

2006 ◽  
Vol 17 (02) ◽  
pp. 187-196 ◽  
Author(s):  
OSMAN BARIŞ MALCIOĞLU ◽  
EMRE TAŞCI ◽  
ŞAKİR ERKOÇ
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Thermal Stability ◽  
Carbon Nanotube ◽  
Electronic Properties ◽  
Coordination Number ◽  
Structural Model ◽  
Molecular Dynamics Method ◽  
Molecular Electronic ◽  
Dynamics Method

Thermal stability and molecular electronic properties of a single walled, bamboo shaped carbon nanotube has been investigated. Molecular dynamics method is applied to investigate thermal stability, and electronic properties are calculated at the Extended Huckel level. Although bamboo shaped carbon nanotubes observed in experimental literature are multi-walled, it is shown that the suggested structural model in this work, which is single-walled, is also both thermodynamically and energetically stable. Bamboo shape of the model investigated is due to periodical coronene-like spacers. The resultant structure is compartmented, having geometrical aberrations in the vicinity of spacers. There is no degradation in the average coordination number. The geometrical aberrations in the vicinity of spacers is due to curvature induced by the pentagons of the resultant geometry.

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