Plastic Deformation of Pressured Metallic Glass

Abstract

Although pressured metallic glass (MG) has been reported in the literature; there are few studies focusing on pressure effects on the structure; dynamics and its plastic deformation. In this paper; we report on and characterize; via molecular dynamics simulation, the structure and dynamics heterogeneity of pressured MGs, and explore a causal link between local structures and plastic deformation mechanism of pressured glass. The results exhibit that the dynamical heterogeneity of metallic liquid is more pronounced at high pressure, while the MGs were less fragile after the release of external pressure, reflected by the non-Gaussian parameter (NGP). High pressure glass shows better plastic deformation; and the local strain zone distributed more uniformly than of in normal glass. Further research indicates that although the number of icosahedrons in pressured glass was much larger than that in normal glass, while the interpenetrating connections of icosahedra (ICOI) exhibited spatial correlations were rather poor; In addition, the number of ‘fast’ atoms indexed by the atoms’ moving distance is larger than that in normal glass; leading to the sharp decreasing in number of icosahedrons during deformation. An uniform distribution of ‘fast’ atoms also contributed to better plastic deformation ability in the pressured glass. These findings may suggest a link between the deformation and destruction of icosahedra with short-range order.