A molecular dynamics study on the tensile characteristics of various metallic glass nanocomposites reinforced by Weyl semimetals three-dimensional graphene network

Abstract

Carbon nanostructures as one of the efficient candidates have been employed to reinforce various types of nanocomposites. Accordingly, the current study employs the recently proposed three-dimensional graphene network, i.e. Hexagonal Graphene Network (HGN), Triangular Graphene Network (TGN) and Quadrilateral Graphene Network (QGN), as the reinforcements for highly applicable metallic glass (MG) nanocomposites with various compositions to study the tensile characteristics such as Young's modulus (YM), Ultimate Strength (Sut) and ultimate strain (US) using molecular dynamics (MD) simulations. Considering pure MGs, two-elements MG with higher Cu percentage demonstrate superior tensile behavior compared to other MGs. Moreover, the increase in the number of elements in MG composition slightly deteriorates tensile characteristics. It is observed that reinforcements considerably improve the tensile characteristics which are considerably pronounced for HGN reinforced MG nanocomposites (MGNCs). Further, it is demonstrated that US is more sensitive to the reinforcement of MGs compared to Young's modulus and ultimate strength. In addition, it is observed that the effect of MG types on the tensile characteristics becomes relatively insignificant in large deformations as C–C bond plays the dominant role to resist axial force in comparison with the weak vdW interaction between the elements of MG and the nanofiller. Further, necking is observed for two-elements MGs which indicate their more ductile behavior than other types. Finally, for the applications that correspond to big axial force, large and small deformations, Al-based three-elements, Ti–Ni based four-elements and Ti-based three-elements MGNCs with HGN reinforcement is proposed, respectively.