Molecular dynamics simulation for the analysis of mechanical properties and effect of Stone-Wales and bi-vacancy defect on carbon nanotube reinforced iron composites

Carbon nanotube (CNT) reinforced metal matrix composites (MMCs) are gaining the attention of researchers because their demand in space and automobile industries for having low weight high mechanical properties. Iron is most used all engineering fields. Therefore, reinforcing iron with CNT can reduce its required amount, which might have a positive economic impact due to reduced cost production. However, before industrial application any material properties under different conditions must be known. In this study, separately single, double triple wall CNTs investigated by Molecular Dynamics (MD) simulation. The study revealed that strength stiffness pure could enhanced up 80.4 % 57.4 %, respectively, adding into iron. We also effect fiber volume percentage temperature on composite triplewalled carbon nanotubes individually. As stone-wales bi-vacancy defects inherently introduced during manufacturing, present