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

Ashkan Farazin, Mehdi Mohammadimehr and Amirabbas Ghorbanpour-Arani

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, 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.

Key Words

carbon nanoparticles; graphene platelets; carbon nanotubes; mechanical and physical properties; molecular dynamics method

Address

Ashkan Farazin, Mehdi Mohammadimehr: Department of Solid Mechanics, Faculty of Mechanical Engineering, University of Kashan, P.O. Box 87317-53153, Kashan, Iran Amirabbas Ghorbanpour-Arani: School of Mechanical Engineering, College of Engineering, University of Tehran, Tehran, Iran

← Back to Volume 78, No. 6