Athermal Shear-Transformation-Zone Theory of Amorphous Plastic Deformation II: Analysis of Simulated Amorphous Silicon

Recent developments in the theory of amorphous plasticity point to the central role played by the concept of an effective disorder temperature $T_{eff}$. An athermal dynamics for $T_{eff}$ are proposed in the framework of a deformation theory and discussed in light of the recent steady state simulations by Haxton and Liu [Phys. Rev. Lett. {\bf 99}, 195701 (2007)]. The structure of the resulting theory, its parameters and transient dynamics are discussed and compared to availa...

We present here potential dependent mechanical properties of amorphous silicon studied through molecular dynamics (MD) at low temperature. On average, the localization of elementary plastic events and the co-ordination defect-sites appears to be correlated. For Tersoff potential and SW potential the plastic events centered on defects-sites prefer 5-fold defect sites, while for modified Stillinger-Weber potential such plastic events choose 3-fold defect sites. We also analyze ...

Virtual melting (VM) as alternative deformation and stress relaxation mechanisms under extreme load is directly validated by molecular dynamics (MD) simulations of the simple shear of single crystal Si I at a temperature 1,383 K below the melting temperature. The shear band consisting of liquid Si is formed immediately after the shear instability while stress drops to zero. A thermodynamic criterion for VM, which depends on the ratio of the sample to shear band widths, is der...

Plastic deformation in amorphous solids is known to be carried by stress-induced localized rearrangements of a few tens of particles, accompanied by the conversion of elastic energy to heat. Despite their central role in determining how glasses yield and break, the search for a simple and generally applicable definition of the precursors of those plastic rearrangements -- the so-called shear transformation zones (STZs) -- is still ongoing. Here we present a simple definition ...

The shear-transformation-zone (STZ) theory of plastic deformation predicts that sufficiently soft, non-crystalline solids are linearly unstable against forming periodic arrays of microstructural shear bands. A limited nonlinear analysis indicates that this instability may be the mechanism responsible for strain softening in both constant-stress and constant-strain-rate experiments. The analysis presented here pertains only to one-dimensional banding patterns in two-dimensiona...

We use Shear Transformation Zone (STZ) theory to develop a deformation map for amorphous solids as a function of the imposed shear rate and initial material preparation. The STZ formulation incorporates recent simulation results [Haxton and Liu, PRL 99 195701 (2007)] showing that the steady state effective temperature is rate dependent. The resulting model predicts a wide range of deformation behavior as a function of the initial conditions, including homogeneous deformation,...

Yielding transitions in athermal amorphous materials resemble critical phenomena. Historically, they have been described by the Herschel-Bulkley rheological formula, which implies singular behaviors at yield points. In this paper, I examine this class of phenomena using an elementary version of the thermodynamic shear-transformation-zone (STZ) theory, focusing on the role of the effective disorder temperature, and paying special attention to scaling and dimensional arguments....

We review the recent literature on the simulation of the structure and deformation of amorphous glasses, including oxide and metallic glasses. We consider simulations at different length and time scales. At the nanometer scale, we review studies based on atomistic simulations, with a particular emphasis on the role of the potential energy landscape and of the temperature. At the micrometer scale, we present the different mesoscopic models of amorphous plasticity and show the ...

Amorphization by severe plastic deformation has been observed in various crystalline materials. However, developing a quantitative and comprehensive theory for strain-induced amorphization remains challenging due to the complex nature of microstructural evolutions and deformation mechanisms. We propose a phase field model coupled with elastic-plastic theory to study the strain-induced amorphization in nanocrystalline materials. The plastic behaviors of crystalline phases and ...

Mechanical shear deformations lead, in some cases, to effects similar to those resulting from ion irradiation. Here we characterize the effects of shear velocity and temperature on amorphous silicon (\aSi) modelled using classical molecular dynamics simulations based on the empirical Environment Dependent Inter-atomic Potential (EDIP). With increasing shear velocity at low temperature, we find a systematic increase in the internal strain leading to the rapid appearance of str...