Three-dimensional shear transformation zone dynamics model for amorphous metals

A fully three-dimensional (3D) mesoscale modeling framework for the mechanical behavior of amorphous metals is proposed. The model considers the coarse-grained action of shear transformation zones (STZs) as the fundamental deformation event. The simulations are controlled through the kinetic Monte Carlo algorithm and the mechanical response of the system is captured through finite-element analysis, where STZs are mapped onto a 3D finite-element mesh and are allowed to shear in any direction in three dimensions. Implementation of the technique in uniaxial creep tests over a wide range of conditions validates the model's ability to capture the expected behaviors of an amorphous metal, including high temperature flow conforming to the expected constitutive law and low temperature localization in the form of a nascent shear band. The simulation results are combined to construct a deformation map that is comparable to experimental deformation maps. The flexibility of the modeling framework is illustrated by performing a contact test (simulated nanoindentation) in which the model deforms through STZ activity in the region experiencing the highest shear stress.