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Both continuous and discrete spatial-discretization methods are commonly used for model-based simulation of failure evolution that involves different degrees of discontinuity. Molecular dynamics (MD) is a discrete method in which interatomic forces are used to determine the time evolution of an atomic or molecular system based on an appropriate set of classical equations of motion. The finite element method (FEM) is a continuous approach in which a suitable constitutive model is required to describe the interactions among different volume elements within a domain of influence before the onset of strong discontinuity such as a macro crack. The Material Point Method (MPM) is a continuum-based particle method that is formulated based on the weak form of the governing differential equations in a way similar to the FEM. Recently, we have performed a comparative study of slope-failure evolution in a copper specimen as predicted by all-atom MD, coarse-grained MD (in which several atoms are subsumed into a single effective particle), and MPM, respectively [1]. In this conference, we’ll present the recent findings on concurrent simulations of shear band evolution based on both coarse-grained MD and MPM, and discuss the future research tasks.

Concurrent Simulation, Material Point Method, Coarse-grained Molecular Dynamics, Shear-Band Evolution