Analyzing Mechanical Properties of Aluminum-graphene Nanocomposite with Vacancy and Pin-holed Defects by Molecular Dynamics Method

Articles in Press

Document Type : Original Article

Authors

• Ali Ebrahimi
• Masoud Ajri

Daneshgah St.

10.22067/jacsm.2024.84337.1206

Abstract

The present study investigated mechanical properties such as Young's modulus and tensile strength of aluminum nanocomposite reinforced with defective graphene with vacancy and hole defects under uniaxial tension using molecular dynamics simulation. Also, the effect of the number of graphene layers in a constant volume ratio on the mechanical behavior of the nanocomposite has also been obtained. This simulation was done with the help of the LAMMPS open-source package by modeling a periodic system with NVE and NPT ensembles. The AIREBO and MEAM potentials were used to describe the interaction of carbon and aluminum atoms, respectively, and Lennard Jones potential was used for the interaction between these atoms. The obtained results show that adding a single layer of graphene to the structure of pure aluminum has improved Young's modulus and tensile strength of pure aluminum by 220 and 320%, respectively. In addition, it is observed that the effect of pinhole and vacancy defects on Young's modulus and tensile strength is non-linear and has a decreasing trend.

Keywords

• Nanocomposite
• mechanical properties
• molecular dynamics
• graphene
• vacancy defects

Main Subjects

• Nano mechanics

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