Mechanical properties of Al-SiNT nanocomposite: a molecular dynamics study

Molecular dynamics simulation is one of the most significant methods in which majority of researchersworking in the field of nanoscale are interested. In this study, first, mechanical molecular dynamics methodis used to investigate mechanical properties of aluminum/silicon nanotubes (Al-SiNT) nanocomposite.Then, the effect of ambient pressure and chirality of nanotubes on the tensile fracture stress, and yield stressof nanocomposite have been investigated. However, in order to simultaneously investigate these twoparameters on the properties of nanocomposite and to find an optimal point for the tensile fracture stress,and yield stress, the molecular dynamics simulation method was used. The results showed that if the ambientpressure increases, the tensile fracture stress and yield stress will increase. Furthermore, the higher thechirality is, the higher the tensile fracture stress and yield stress are.

Keywords:

Molecular dynamics simulation , Mechanical properties , Al-SiNT , Nanocomposite , Stress-straincurve