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Mechanical Behavior Analysis of Carbon Nanotube-Based Polymer Composites using Multiscale Modeling  

, Ph.D. Dissertation Sharif University of Technology Montazeri Hedesh , Abbas (Author) ; Naghdabadi, Reza (Supervisor) ; Rafii Tabar, Hashem (Supervisor) ; Bagheri, Reza (Supervisor)
Abstract
In this project, two multiscale modeling procedures have been implemented to study the mechanical behavior of SWCNT/polymer composites. First, a new three-phase molecular structural mechanics/ finite element (MSM/FE) multiscale model has been introduced which consists of three components, i.e. a carbon nanotube, an interphase layer and outer polymer matrix. The nanotube is modeled at the atomistic scale using MSM, whereas the interphase layer and polymer matrix are analyzed by the FE method. Using this model, we have investigated the macroscopic material properties of nanocomposite with and without considering the interphase and compared the results with molecular dynamics (MD) simulations.... 

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Mechanical Behavior Analysis of Carbon Nanotube-Based Polymer Composites using Multiscale Modeling  

, Ph.D. Dissertation Sharif University of Technology Montazeri Hedesh , Abbas (Author) ; Naghdabadi, Reza (Supervisor) ; Rafii Tabar, Hashem (Supervisor) ; Bagheri, Reza (Supervisor)
Abstract
In this project, two multiscale modeling procedures have been implemented to study the mechanical behavior of SWCNT/polymer composites. First, a new three-phase molecular structural mechanics/ finite element (MSM/FE) multiscale model has been introduced which consists of three components, i.e. a carbon nanotube, an interphase layer and outer polymer matrix. The nanotube is modeled at the atomistic scale using MSM, whereas the interphase layer and polymer matrix are analyzed by the FE method. Using this model, we have investigated the macroscopic material properties of nanocomposite with and without considering the interphase and compared the results with molecular dynamics (MD) simulations.... 

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  • Computational modeling of the transverse-isotropic elastic properties of single-walled carbon nanotubes.pdf
    • Computational modeling of the transverse-isotropic elastic properties of single-walled carbon nanotubes (193)
      • Introduction (193)
      • Modeling
        • Analysis methodology
        • Molecular dynamics simulation
        • Continuum model
          • Uniform radial pressure
          • Non-uniform radial pressure
      • Results and discussion
        • Longitudinal Young’s modulus and major Poisson’s ratio
        • Longitudinal shear modulus
        • Transverse Young’s modulus and Poisson’s ratio
      • Conclusions
      • Acknowledgment
      • References
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