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Computational Simulation of single-walled carbon nanotubes port connection

Author: HeXiangDong
Tutor: LuoChengLin
School: Nanjing Normal University
Course: Condensed Matter Physics
Keywords: carbon nanotube tight binding approximation molecular dynamics
CLC: TB383.1
Type: Master's thesis
Year: 2007
Downloads: 95
Quote: 1
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Abstract


Carbon nanotubes (CNTs) are new carbon-related materials with nanometer diameter and perfect molecular structure. The nanotubes can be viewed as seamless hollow tubular structures being constructed from a single rolled sheet of graphite. And they are considered as quasi-one dimensional nanomaterials. Due to their special structures with mechanical and electronic properties, nanotubes will have vast and promising prospect of application in many fields, such as nanoelectronic devices, field-effect transistors, single-electron transistors, etc.There have been many experimental and theoretical studies, such as atomic structures, properties and applications of SWNT’s multiterminal junctions. Local coalescence between two nanotubes is believed to play an important role in making nanotube junctions. It has been shown by experiment that "X"、"Y" and "T" nanotube junctions can be created by controlled electron beam exposure of crossed tubes at elevated temperatures.This paper employs tight-binding molecular dynamics simulations (TBMDs) to investigate the effects upon the V-shaped or Y-shaped carbon nanotube junction at elevated temperature. The simulation results implied that with a proper temperature, two movable single-walled carbon nanotubes can be connected together to form a nanotube. And not only the nanotube is straight and long, but also the joint is perfect. The simulations were also performed for V-shaped and Y-shaped carbon nanotube junction with a frozen end of nanotubes. They showed that the joint can not be completed, because of lacking of the number of atoms, long distance between atoms and frozen end.

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