The Material Point Monte Carlo model: A discrete, off-lattice method for microstructural evolution simulations

A new kinetic Monte Carlo model, termed the Material Point Monte Carlo (MPMC) method, is developed to simulate microstructural evolution under a variety of driving forces. The MPMC operates on a spatially random set of discrete material points; at each time step, points are relocated and their material data are updated according to a statistical mechanics scheme. Because material points are randomly distributed, and remain so under affine deformations, the MPMC eliminates artifacts of the simulation grid that occur in lattice-based methods such as the Monte Carlo Potts model. For model systems the MPMC is verified to correctly reproduce grain boundary motion caused by bulk and interfacial driving forces. It is then applied to larger and more complex problems, including grain growth during plastic deformation. (C) 2016 Elsevier B.V. All rights reserved.