Uniform TitleStudy of the mechanical properties and the electrical properties of single-walled carbon nanotubes through finite element analysis and molecular dynamic simulations
NameJaramillo, Paola (author), Yaluria, Yogesh (chair), Benaroya, Haym (internal member), Dill, Ellis (internal member), Cuitino, Alberto (internal member), Rutgers University, Graduate School - New Brunswick,
SubjectMechanical and Aerospace Engineering,
Nanostructured materials--Mechanical properties,
Nanostructured materials--Electrical properties
DescriptionThe 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.
NoteIncludes bibliographical references (p. 150-153).
CollectionGraduate School - New Brunswick Electronic Theses and Dissertations
Organization NameRutgers, The State University of New Jersey
RightsThe author owns the copyright to this work.