Plasticity in Amorphous Solids Is Mediated by Topological Defects in the Displacement Field.

The microscopic mechanism by which amorphous solids yield plastically under an externally applied stress or deformation has remained elusive in spite of enormous research activity in recent years. Most approaches have attempted to identify atomic-scale structural "defects" or spatiotemporal correlations in the undeformed glass that may trigger plastic instability. In contrast, in this Letter we show that the topological defects that correlate with plastic instability can be identified, not in the static structure of the glass, but rather in the nonaffine displacement field under deformation. These dislocation-like topological defects (DTDs) can be quantitatively characterized in terms of Burgers circuits (and the resulting Burgers vectors) that are constructed on the microscopic nonaffine displacement field. We demonstrate that (i) DTDs are the manifestation of incompatibility of deformation in glasses as a result of violation of Cauchy-Born rules (nonaffinity); (ii) the resulting average Burgers vector displays peaks in correspondence of major plastic events, including a spectacular nonlocal peak at the yielding transition, which results from self-organization into shear bands due to the attractive interaction between antiparallel DTDs; and (iii) application of Schmid's law to the DTDs leads to prediction of shear bands at 45° for uniaxial deformations, as widely observed in experiments and simulations.

Predicting plasticity of amorphous solids from instantaneous normal modes.

We present a mathematical description of amorphous solid deformation and plasticity by extending the concept of instantaneous normal modes (INMs) to deformed systems, which allows us to retain the effect of strain on the vibrational density of states (VDOS). Starting from the nonaffine lattice dynamics (NALD) description of elasticity and viscoelasticity of glasses, we formulate the linear response theory up to large deformations by considering the strain-dependent tangent modulus at finite values of shear strain. The (nonaffine) tangent shear modulus is computed from the VDOS of affinely strained configurations at varying strain values. The affine strain, found analytically on the static (undeformed) snapshot of the glass, leads to configurations that are rich with soft low-energy modes as well as unstable modes (negative eigenvalues) that are otherwise completely "washed out" and lost if one lets the system fully relax after strain. This procedure is consistent with the structure of NALD. The INM spectrum of deformed states allows for the analytical prediction of the stress-strain curve of a model glass. Good parameter-free quantitative agreement is shown between the prediction and simulations of athermal quasistatic shear of a coarse-grained polymer glass.