Atomistic insight of torsional behavior of CNT-nanocrystalline Al nanocomposites

In this study, the deformation behavior of nanocrystalline (NC) Al and carbon nanotube (CNT) reinforced NC Al nanocomposite specimens (CNT-NC Al NCs) have been inspected under torsional loading using molecular dy-namics (MD) simulations. Torsional loading on the specimens has been applied using a constant twist rate (2 degrees /ps) relative to either end of the specimen. The evolution of grain structure at the nanoscale, the changes in crystal structure at the atomic scale, and their correlation with potential energy are investigated at different stages of torsional deformation. The fracture path for NC Al and CNT-NC Al NCs is seen along the grain boundary, and the CNT fracture process in torsion is similar to tension. The (30) CNT-NC Al NC specimen has unveiled higher torsional failure strength of 69.6 % than NC Al without the CNT specimen. The interaction of the activated slip planes, stacking faults, and dislocation motion with the Burger vector have been discussed in detail during torsion deformation. The correlation between defect evolution with strain contour has also been discussed in this paper.