# The effect of thermal history on the atomic structure and mechanical properties of amorphous alloys

## TL;DR

This study uses molecular dynamics simulations to explore how thermal history affects the atomic structure and mechanical properties of metallic glasses, revealing that higher annealing temperatures lead to increased ductility and altered deformation modes.

## Contribution

It provides new insights into the relationship between thermal processing, atomic structure, and mechanical behavior of amorphous alloys, aiding in their design for improved plasticity.

## Key findings

- Higher annealing temperatures increase shear modulus and yield strength.
- Deformation mode shifts from brittle to ductile with increased annealing temperature.
- Shear modulus becomes strain rate dependent at high annealing temperatures.

## Abstract

The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first relaxed near the glass transition temperature, and then rapidly cooled deep into the glass phase. It was found that glasses prepared at higher annealing temperatures are relocated to higher energy states and their average glass structure remains more disordered, as reflected in the shape of the pair correlation function. The results of mechanical testing demonstrate that both the shear modulus and yielding peak increase significantly when the annealing temperature approaches $T_g$ from above. Moreover, the shear modulus becomes a strong function of strain rate only for samples equilibrated at sufficiently high temperatures. Based on the spatial distribution of nonaffine displacements, we show that the deformation mode changes from brittle to ductile upon increasing annealing temperature. These results can be useful for the design and optimization of the fabrication processes of bulk glassy alloys with improved plasticity.