Origin of the non-linear elastic behavior of silicate glasses

TL;DR

This study uses atomistic simulations to uncover how microscopic mechanisms, especially modifier mobility, influence the non-linear elastic behavior of silicate glasses, revealing a quasi-plateau in the tangent modulus.

Contribution

It establishes a link between microscopic properties and non-linear stress-strain behavior in silicate glasses, highlighting the role of modifier mobility without network topology changes.

Findings

Identification of a quasi-plateau in tangent modulus.

Link between modifier mobility and stress relief.

Insights applicable to other disordered materials.

Abstract

For small tension the response of a solid to an applied stress is given by Hooke's law. Outside this linear regime the relation between stress and strain is no longer universal and at present there is no satisfactory insight on how to connect for disordered materials the stress-strain relation to the microscopic properties of the system. Here we use atomistic computer simulations to establish this connection for the case of silicate glasses containing modifiers. By probing how in the highly non-linear regime the stress-strain curve depends on composition, we are able to identify the microscopic mechanisms that are responsible for the complex dependence of stress on strain, notably the presence of an unexpected quasi-plateau in the tangent modulus. We trace back this dependence to the mobility of the modifiers which, without leaving their cage or modifying the topology of the network, are able to relieve the local stresses. Since the identified mechanism is general, the results obtained in this study will also be helpful for understanding the mechanical response of other disordered materials.