International Journal of Nanoscience and Nanotechnology

International Journal of Nanoscience and Nanotechnology

Interfacial Properties of Aluminum Nanocomposites Reinforced with Graphene and Carbon Nanotube With and Without Defects at Different Temperatures Via Molecular Dynamics Simulation

Document Type : Research Paper

Authors
Wijdan Qahtan Farhan Al-Humairi
Samrand Rash-Ahmadi
Morteza Khalilian
Urmia university, Department of Mechanical Engineering
10.22034/ijnn.2025.2045755.2603
Abstract
In the last decade, the use of aluminum nanocomposites reinforced with graphene nanoplates and carbon nanotubes has increased. Therefore, it is essential to examine the properties of the aluminum matrix in relation to the reinforcements. In this study, molecular dynamics simulation was used to investigate the interfacial properties of several layers of graphene nanosheets and carbon nanotubes (with and without defects) in aluminum nanocomposites. The effect of temperature and the number of reinforcements was investigated in this work. The results show that by increasing the number of graphene nanoplates and carbon nanotubes (1 to 4) in the aluminum matrix, the adhesion and interaction energy improved (-600 to -2800 kcal/mol) (-400 to -1500 kcal/mol). In addition, the highest amount of pull-out force of aluminum nanocomposites reinforced with graphene corresponding to 4-layer graphene was equal to 66 kcal/mol, and for aluminum nanocomposites reinforced with carbon nanotubes corresponding to 4 carbon nanotubes, was equal to 61 kcal/mol. Also, defects in graphene nanoplates and carbon nanotubes reduce the interaction energy and pull-out force in aluminum nanocomposites. In addition, with the increase in temperature (300 to 450 K), the amount of interaction energy, adhesion, and the maximum pull-out force decreases.
Keywords
Interfacial Properties
Adhesion, Aluminum Nanocomposites
Graphene
Molecular Dynamics

Subjects

International Journal of Nanoscience and Nanotechnology
Volume 21, Issue 1
Winter 2025
Pages 41-48