Heterogeneous dynamics during yielding of glasses: effect of aging

TL;DR

This study uses molecular dynamics simulations to explore how aging and temperature influence the yielding behavior and shear band formation in glasses under shear, revealing complex dependencies on thermal history and shear rate.

Contribution

It provides new insights into the interplay between aging, temperature, and shear rate in determining the yielding and shear banding in glasses, supported by detailed simulation data.

Findings

Yielding marked by stress overshoot at strain ~0.1

Overshoot amplitude depends logarithmically on age and shear rate

Shear banding occurs only under specific conditions of shear rate, age, and temperature

Abstract

Molecular dynamics computer simulations of a binary Lennard-Jones glass under shear are presented. The mechanical response of glassy states having different thermal histories is investigated by imposing a wide range of external shear rates, at different temperatures. The stress-strain relations exhibit an overshoot at a strain of around 0.1, marking the yielding of the glass sample and the onset of plastic flow. The amplitude of the overshoot shows a logarithmic behavior with respect to a dimensionless variable, given by the age of the sample times the shear rate. Dynamical heterogeneities having finite lifetimes, in the form of shear bands, are observed as the glass deforms under shear. By quantifying the spatial fluctuations of particle mobility, we demonstrate that such shearbanding occurs only under specific combinations of imposed shear-rate, age of glass and ambient temperature.