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Modeling of Nanocomposites Reinforced With Carbon Nanoplatelets Using Molecular Dynamics and Finite Element Analysis

Venkata Swamy, Sampath Kumar
http://rave.ohiolink.edu/etdc/view?acc_num=ucin1122555750

Abstract Details

2005, MS, University of Cincinnati, Engineering : Mechanical Engineering.
Carbon nanotubes (CNTs) maybe the greatest discovery in science and engineering at the end of the 20th century and will play an extremely important role in the 21st century. However, the nominal costs associated with the manufacturing of CNTs are still enormous, not to mention the time and efforts that are involved. The cost of manufacturing CNT-based nanocomposites poses an even more serious challenge. An alternative for this problem could lie with carbon nanoplatelets (CNPs), which have been found to be equally effective in reinforcing composite materials. CNPs can reinforce the matrix in two directions unlike CNTs, which are effective only in one direction. In this study, a detailed analysis of the CNPs and their effects on nanocomposites is conducted. The mechanical properties such as the effective Young’s modulus of a reinforced nanoplatelet-polymer composite are found out using continuum mechanics and finite element analysis (FEA). Furthermore, molecular dynamics (MD) simulation was carried out on a model with the same volume fraction. Since a quasi-static loading is done on the model, the simulations can also be called as molecular mechanics. However, the theory (apart from the loading process) is based on the MD, thus the molecular simulation process reported in this thesis can also be called as molecular dynamics. The polymer considered is crystalline polyethylene, which is anisotropic in behavior with maximum stiffness in the direction of the chains and a marked change in Young’s modulus in the other directions. An anisotropic-material behavior is assigned to this model and analyzed in ANSYS. MD simulations are done using DL_POLY. The polymer is modeled by replicating the crystalline monomer (sometimes referred to as ultra-drawn polyethylene fibers) in the required direction. The final results indicate that the values obtained from the MD simulations and from those of FEA are very much in agreement for a long CNP composite. This can further lead to a conclusion that FEA can be reliably used to predict certain properties such as effective Young’s modulus for models whose interfacial properties do not affect the overall load transfer in the composite and MD simulations can be reserved for more complicated analyses such as pull-out and pressure-distribution at the interface of the matrix and the reinforcement problems in nanocomposites.
Dr. Yijun Liu (Advisor)
84 p.
Engineering, Mechanical

Recommended Citations

Citations

  • Venkata Swamy, S. K. (2005). Modeling of Nanocomposites Reinforced With Carbon Nanoplatelets Using Molecular Dynamics and Finite Element Analysis [Master's thesis, University of Cincinnati]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1122555750

    APA Style (7th edition)

  • Venkata Swamy, Sampath. Modeling of Nanocomposites Reinforced With Carbon Nanoplatelets Using Molecular Dynamics and Finite Element Analysis. 2005. University of Cincinnati, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=ucin1122555750.

    MLA Style (8th edition)

  • Venkata Swamy, Sampath. "Modeling of Nanocomposites Reinforced With Carbon Nanoplatelets Using Molecular Dynamics and Finite Element Analysis." Master's thesis, University of Cincinnati, 2005. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1122555750

    Chicago Manual of Style (17th edition)

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This open access ETD is published by University of Cincinnati and OhioLINK.