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Study of the mechanical properties and the electrical properties of single-walled carbon nanotubes through finite element analysis and molecular dynamic simulations
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Title
Study of the mechanical properties and the electrical properties of single-walled carbon nanotubes through finite element analysis and molecular dynamic simulations
Name
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Jaramillo
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Paola
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Paola Jaramillo
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Yaluria
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Yogesh
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Advisory Committee
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Yogesh Yaluria
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Benaroya
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Haym
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Advisory Committee
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Haym Benaroya
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internal member
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Dill
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Ellis
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Advisory Committee
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Ellis H. Dill
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internal member
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Cuitino
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Alberto
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Advisory Committee
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Alberto Cuitino
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Rutgers University
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degree grantor
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Graduate School - New Brunswick
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theses
OriginInfo
DateCreated
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2008
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2008-01
Language
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English
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electronic
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application/pdf
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text/xml
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xviii, 154 pages
Abstract
The primary motivation of the current research focuses on the ability to create simplified models that can accurately predict the response of carbon nanotube structures undergoing different types of loading conditions. Moreover, the conductivity characteristics of these structures under different geometrical arrangements are investigated. In this way, the mechanical characteristics regarding single-walled carbon nanotubes (SWCNTs) through finite element modeling are computed. This is followed by the determination of the electrical properties of carbon nanotubes through molecular dynamic simulations.
A simplified finite element model is created for different types of SWCNTs with varying input parameters. An input array for the elastic modulus and load is generated to control the physical effects of these parameters in the nanotube structure. The geometries of the nanotubes are altered through various thicknesses employed for the construction of the C--C bonds. The current work contributes to the generation of different model responses to monitor the stress distribution employing a wide range of parameter values. The ability to introduce variability in the parameters and boundary conditions without altering the capabilities and computational time in the model represents the main contribution of the thesis from the mechanical component.
The electrical aspects of the simulations are carried using simple molecular dynamics schemes taking into consideration finite and infinite SWCNTs modeled as isolated tubes, triangular lattice configurations, and both curved and non-purified structures. Through optimized molecular models, the total energies of the carbon nanotubes are obtained along with the virtual and occupied energy eigenvalues. From this analysis, the carbon nanotube band structures can be computed to determine its conductivity capabilities.
Findings explaining the output from the mechanical and electrical simulations are summarized. Furthermore, conceptual contributions for future work are listed to develop models capable of physically interpreting the characteristics of single-walled carbon nanotubes.
A simplified finite element model is created for different types of SWCNTs with varying input parameters. An input array for the elastic modulus and load is generated to control the physical effects of these parameters in the nanotube structure. The geometries of the nanotubes are altered through various thicknesses employed for the construction of the C--C bonds. The current work contributes to the generation of different model responses to monitor the stress distribution employing a wide range of parameter values. The ability to introduce variability in the parameters and boundary conditions without altering the capabilities and computational time in the model represents the main contribution of the thesis from the mechanical component.
The electrical aspects of the simulations are carried using simple molecular dynamics schemes taking into consideration finite and infinite SWCNTs modeled as isolated tubes, triangular lattice configurations, and both curved and non-purified structures. Through optimized molecular models, the total energies of the carbon nanotubes are obtained along with the virtual and occupied energy eigenvalues. From this analysis, the carbon nanotube band structures can be computed to determine its conductivity capabilities.
Findings explaining the output from the mechanical and electrical simulations are summarized. Furthermore, conceptual contributions for future work are listed to develop models capable of physically interpreting the characteristics of single-walled carbon nanotubes.
Note
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M.S.
Note
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Includes bibliographical references (p. 150-153).
Subject
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Topic
Mechanical and Aerospace Engineering
Subject
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Topic
Nanotubes
Subject
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Topic
Carbon
Subject
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Topic
Nanostructured materials--Mechanical properties
Subject
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Topic
Nanostructured materials--Electrical properties
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Graduate School - New Brunswick Electronic Theses and Dissertations
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rucore19991600001
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http://hdl.rutgers.edu/1782.2/rucore10001600001.ETD.17146
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ETD_717
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doi:10.7282/T3SJ1KZQ
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ETD graduate
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The author owns the copyright to this work.
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Copyright protected
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Open
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Paola Jaramillo
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Rutgers University. Graduate School - New Brunswick
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Non-exclusive ETD license
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Author Agreement License
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I hereby grant to the Rutgers University Libraries and to my school the non-exclusive right to archive, reproduce and distribute my thesis or dissertation, in whole or in part, and/or my abstract, in whole or in part, in and from an electronic format, subject to the release date subsequently stipulated in this submittal form and approved by my school. I represent and stipulate that the thesis or dissertation and its abstract are my original work, that they do not infringe or violate any rights of others, and that I make these grants as the sole owner of the rights to my thesis or dissertation and its abstract. I represent that I have obtained written permissions, when necessary, from the owner(s) of each third party copyrighted matter to be included in my thesis or dissertation and will supply copies of such upon request by my school. I acknowledge that RU ETD and my school will not distribute my thesis or dissertation or its abstract if, in their reasonable judgment, they believe all such rights have not been secured. I acknowledge that I retain ownership rights to the copyright of my work. I also retain the right to use all or part of this thesis or dissertation in future works, such as articles or books.
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