Micro-plasticity in a fragile model binary glass

TL;DR

This study uses atomistic simulations to explore microplasticity in a binary glass, revealing heterogeneous elastic and plastic responses at the atomic level, with implications for understanding structural evolution under elastic loading.

Contribution

It provides new insights into the atomic-scale origins of microplasticity and heterogeneity in a model binary glass under low strain rates, linking structure to mechanical response.

Findings

Elastic response with minor softening despite structural relaxation

Heterogeneous behavior between two types of atomic environments

Microplastic evolution occurs in softer, frustrated regions

Abstract

Atomistic deformation simulations in the nominally elastic regime are performed for a model binary glass with strain rates as low as $10^{4}$/sec (corresponding to 0.01 shear strain per 1$\mu$sec). A robust elasticity is revealed that exhibits only minor elastic softening, despite quite different degrees of structural relaxation occurring over the four orders of magnitude strain rates considered. A closer inspection of the atomic-scale structure indicates the material response is distinctly different for two types of local atomic environments. A system spanning iscosahedrally coordinated substructure responds purely elastically, whereas the remaining substructure also admits microplastic evolution. This leads to a heterogeneous internal stress distribution which, upon unloading, results in negative creep and complete residual-strain recovery. A detailed structural analysis in terms of local stress, atomic displacement, and SU(2) local bonding topology shows such microscopic processes can result in large changes in local stress and are more likely to occur in geometrically frustrated regions characterized by higher free volume and softer elastic stiffness. These insights shed atomistic light onto the structural origins that may govern recent experimental observations of significant structural evolution in response to elastic loading protocols.