Inhomogeneity of Free Volumes in Metallic Glasses under Tension

Abstract

In this work, the deformation of Zr2Cu metallic glass (MG) under uniaxial tensile stress was investigated at the atomic level using a series of synchrotron radiation techniques combined with molecular dynamics simulation. A new approach to the quantitative detection of free volumes in MGs was designed and it was found that free volumes increase in the elastic stage, slowly expand in the yield stage, and finally reach saturation in the plastic stage. In addition, in different regions of the MG model, free volumes exhibited inhomogeneity under stress, in terms of size, density, and distribution. In particular, the expansion of free volumes in the center region was much more rapid than those in the other regions. It is interesting that the density of free volumes in the center region abnormally decreased with strain. It was revealed that the atomic-level stress between different regions may contribute to the inhomogeneity of free volumes under stress. In addition, the inhomogeneous change of free volumes during the deformation was confirmed by the evolution of local atomic shear strains in different regions. The present work provides in-depth insight into the deformation mechanisms of MGs.