Modulating mechanical performances of metallic amorphous materials through phase gradient

Abstract

Increasing strength is usually at the cost of sacrificing ductility in structural materials. The tradeoff becomes even conspicuous in a category of metallic amorphous materials, the so-called metallic glasses (MGs) featured without any atomic-scale translational symmetry. Therefore, there remains little room for simultaneous optimization of strength and ductility in MGs through tailoring the morphology and kinetics of structural imperfections. Here we propose an alternative strategy for modulating the mechanical properties of MGs through introducing proper content of compositional or phase gradient inspired by the mechanistic strain gradient theory. We design two types of CuZr-based phase gradient metallic glasses (PGMGs) with different compositional concentration gradient directions in either continuous or stepped gradient form. Extensive molecular dynamics simulations demonstrate that phase gradient raises the concentration of mechanically stable icosahedral and icosahedron-like Voronoi polyhedra and, thus, increases the strength of MGs. In terms of plastic deformation, free volume mismatch between phases invalidates the autocatalytic activation mechanism of shear transformation zones, resulting in greater resistance to shear band propagation. The phase gradient also encourages branches of shear band and nucleation of multiple shear bands, which mechanism delocalizes deformation and postpones failure. These mechanisms lead to an improvement in the overall ductility of the PGMGs. The present strategy sheds light on evading the long-standing strength-ductility tradeoff in amorphous metals through extrinsic chemical and geometrical modulation that can be handled by appropriate thermal processing and fabrication technique.