Structural Engineering and Mechanics

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Simulation of different carbon structures on significant mechanical and physical properties based on MDs method

  • Farazin, Ashkan (Department of Solid Mechanics, Faculty of Mechanical Engineering, University of Kashan) ;
  • Mohammadimehr, Mehdi (Department of Solid Mechanics, Faculty of Mechanical Engineering, University of Kashan) ;
  • Ghorbanpour-Arani, Amirabbas (School of Mechanical Engineering, College of Engineering, University of Tehran)
  • Received : 2020.03.14
  • Accepted : 2021.04.06
  • Published : 2021.06.25
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Abstract

In this research, the nanocomposite boxes are simulated using polyurethane (PU) as a thermoplastic polymer with various reinforcements including carbon nanoparticles (CNPs), graphene platelets (GPLs), single-walled carbon nanotubes (SWCNTs), and double-walled carbon nanotubes (DWCNTs), which are as biocompatible and biodegradable. To predict the mechanical and physical properties of each nanocomposite boxes, the molecular dynamics (MDs) method with Materials studio software has been applied. Ultimately, all properties including mechanical and physical properties (Young's modulus, shear modulus, Poisson's ratio, bulk modulus, and density) for all four simulated nanocomposite boxes are achieved and compared to each other. To increase the accuracy of this simulation, it is attempted to keep the number of carbon atoms in each simulation the same. It is noteworthy that by changing the state of CNPs to SWCNTs-DWCNTs, density, Young's modulus, shear modulus, bulk modulus and Poisson's ratio of nanocomposite from CNPs to DWCNTs approximately becomes 5.7, 10.25, 28.63, 96 and 1.39 times, respectively. Then, the stiffness matrix are obtained by Materials studio software. Moreover, the obtained results from this research are validated with the results of the literature. Also, the mechanical and physical properties of nanocomposite are recommended before fabrication. The manufacturing of this nanocomposite is used for biomedical cases such as artificial vessels and piping.

Keywords

Acknowledgement

The authors would like to thank the referees for their valuable comments. Also, they are thankful to the Iranian Nanotechnology Development Committee for their financial support and the University of Kashan for supporting this work by Grant No. 891238/20.

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