Study of the mechanical properties and the electrical properties of single-walled carbon nanotubes through finite element analysis and molecular dynamic simulations

OF THE THESIS Study of the Mechanical Properties and the Electrical Properties of Single-Walled Carbon Nanotubes through Finite Element Analysis and Molecular Dynamic Simulations by Paola Jaramillo Thesis Director: Dr. Haym Benaroya The primary motivation of the current research focuses on the ability to create simpli…ed models that can accurately predict the response of carbon nanotube structures undergoing di¤erent types of loading conditions. Moreover, the conductivity characteristics of these structures under di¤erent geometrical arrangements are investigated. In this way, the mechanical characteristics regarding single-walled carbon nanotubes (SWCNTs) through …nite element modeling are computed. This is followed by the determination of the electrical properties of carbon nanotubes through molecular dynamic simulations. A simpli…ed …nite element model is created for di¤erent types of SWCNTs with varying input parameters. An input array for the elastic modulus and load is generated to control the physical e¤ects 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 di¤erent 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.