Origin of the non-linear elastic behavior of silicate glasses

• Published in: Acta materialia 2022-06, Vol.231, p.117855, Article 117855
• Main Authors: Zhang, Zhen, Ispas, Simona, Kob, Walter
• Format: Article
• Language: English
• Subjects: Condensed Matter; Deformation inhomogeneities; Disordered Systems and Neural Networks; Elastic behavior; Materials Science; Molecular dynamics simulations; Non-metallic glasses (silicates); Nonlinear; Physics
• ISSN: 1359-6454; 1873-2453
• DOI: 10.1016/j.actamat.2022.117855

[Display omitted] 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 alkali 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 in these systems, 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.