Title: Effect of adding Ta and W monocrystalline fibers in Ta-metallic glass matrix using molecular dynamics simulations

Abstract

In this work, we study the effect of adding Ta and W monocrystalline fibers in Ta-metallic glass (MG) matrix using MD simulations with the embedded atom method (EAM) to describe the interatomic interactions. In addition, mechanical solicitations have been performed using a tensile test under a strain rate of 107s-1, the evolutions of stress-strain curves have been compared between four samples (Ta-MG, nanoporous Ta-MG, monocrystalline Ta-reinforced Ta-MG, and monocrystalline W-reinforced Ta-MG). Tensile tests have shown that plastic deformations are characterized by the localization of shear bands (SBs) in amorphous zones and the addition of Ta monocrystalline fibers increases the ductility of the material and decreases its ultimate tensile stress (UTS); this ductility was found to be a result of the crystal growth inside the glassy matrix triggered by the crystal phase of the fiber. In contrast, the addition of W reinforces the MG matrix and increases the maximum strength and the toughness of the material, this improvement of the mechanical properties was explained by the presence of the heterogeneous interface which behaves as an obstacle to the motion of shear bands.