Iranian Nanotechnology Society International Journal of Nanoscience and Nanotechnology 1735-7004 21 1 2025 03 23 Interfacial Properties of Aluminum Nanocomposites Reinforced with Graphene and Carbon Nanotube With and Without Defects at Different Temperatures Via Molecular Dynamics Simulation 41 48 733184 10.22034/ijnn.2025.2045755.2603 EN Wijdan Qahtan Farhan Al-Humairi Urmia university, Department of Mechanical Engineering 0009-0000-2465-7435 Samrand Rash-Ahmadi Urmia university, Department of Mechanical Engineering 0000-0002-4719-7926 Morteza Khalilian Urmia university, Department of Mechanical Engineering 0009-0003-1907-3461 Journal Article 2024 11 14 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. https://www.ijnnonline.net/article_733184_ca219cc1c4dadcd0c895387d21143d53.pdf