Numerical simulation and modeling of carbon nanotubes

The discovery of carbon nanotubes has triggered a significant amount of interest. Since then, much research has been done on these new forms of carbon because of its exceptional physical properties, which has been revealed in various theoretical and experimental studies. The focus of this thesis is...

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主要作者: Wong, Chee How
其他作者: Liew Kim Meow
格式: Theses and Dissertations
出版: 2008
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在線閱讀:https://hdl.handle.net/10356/5379
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spelling sg-ntu-dr.10356-53792023-03-11T17:43:42Z Numerical simulation and modeling of carbon nanotubes Wong, Chee How Liew Kim Meow School of Mechanical and Aerospace Engineering DRNTU::Engineering::Nanotechnology The discovery of carbon nanotubes has triggered a significant amount of interest. Since then, much research has been done on these new forms of carbon because of its exceptional physical properties, which has been revealed in various theoretical and experimental studies. The focus of this thesis is on the mechanical and thermal properties of carbon nanotubes. A detailed study of the mechanical and thermal properties of carbon nanotubes is described in this thesis by employing molecular dynamics simulation. In this research, a parallelized molecular dynamics computer program based on MPI library and FORTRAN 77 computer language is developed to assist in the simulation of the carbon nanotubes. Throughout the whole of this research, Brenner’s “second-generation” empirical potential is used to describe the many-body short-range interatomic interactions, while the long-range non-bonded interactions is described using van der Waals forces characterized by Lennard-Jones (12,6) potential. DOCTOR OF PHILOSOPHY (MAE) 2008-09-17T10:49:15Z 2008-09-17T10:49:15Z 2005 2005 Thesis Wong, C. H. (2005). Numerical simulation and modeling of carbon nanotubes. Doctoral thesis, Nanyang Technological University, Singapore. https://hdl.handle.net/10356/5379 10.32657/10356/5379 Nanyang Technological University application/pdf
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
topic DRNTU::Engineering::Nanotechnology
spellingShingle DRNTU::Engineering::Nanotechnology
Wong, Chee How
Numerical simulation and modeling of carbon nanotubes
description The discovery of carbon nanotubes has triggered a significant amount of interest. Since then, much research has been done on these new forms of carbon because of its exceptional physical properties, which has been revealed in various theoretical and experimental studies. The focus of this thesis is on the mechanical and thermal properties of carbon nanotubes. A detailed study of the mechanical and thermal properties of carbon nanotubes is described in this thesis by employing molecular dynamics simulation. In this research, a parallelized molecular dynamics computer program based on MPI library and FORTRAN 77 computer language is developed to assist in the simulation of the carbon nanotubes. Throughout the whole of this research, Brenner’s “second-generation” empirical potential is used to describe the many-body short-range interatomic interactions, while the long-range non-bonded interactions is described using van der Waals forces characterized by Lennard-Jones (12,6) potential.
author2 Liew Kim Meow
author_facet Liew Kim Meow
Wong, Chee How
format Theses and Dissertations
author Wong, Chee How
author_sort Wong, Chee How
title Numerical simulation and modeling of carbon nanotubes
title_short Numerical simulation and modeling of carbon nanotubes
title_full Numerical simulation and modeling of carbon nanotubes
title_fullStr Numerical simulation and modeling of carbon nanotubes
title_full_unstemmed Numerical simulation and modeling of carbon nanotubes
title_sort numerical simulation and modeling of carbon nanotubes
publishDate 2008
url https://hdl.handle.net/10356/5379
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