Structural relaxation and delayed yielding in cyclically sheared Cu-Zr metallic glasses

TL;DR

This study uses molecular dynamics simulations to explore how cyclic shear affects the structural relaxation and yielding behavior of Cu-Zr metallic glasses, revealing energy decay, relaxation mechanisms, and shear band formation.

Contribution

It provides new insights into the microscopic processes of relaxation and yielding in metallic glasses under cyclic loading, highlighting the role of strain amplitude and structural rearrangements.

Findings

Low-amplitude cyclic loading causes logarithmic potential energy decay.

Potential energy correlates with stress overshoot during shear.

Shear band formation marks the yielding transition.

Abstract

The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly-annealed Cu-Zr amorphous alloy periodically deformed in a wide range of strain amplitudes at room temperature. It is found that low-amplitude cyclic loading leads to a logarithmic decay of the potential energy, and lower energy states are attained when the strain amplitude approaches a critical point from below. Moreover, the potential energy after several thousand loading cycles is a linear function of the peak value of the stress overshoot during startup continuous shear deformation of the annealed sample. We show that the process of structural relaxation involves collective, irreversible rearrangements of groups of atoms whose spatial extent is most pronounced at the initial stage of loading and higher strain amplitudes. At the critical amplitude, the glass becomes mechanically annealed for a number of transient cycles and then yields via formation of a shear band. The yielding transition is clearly marked by abrupt changes in the potential energy, storage modulus, and fraction of atoms with large nonaffine displacements.