The capillary driving force and grain boundary mobility was numerically derived within a three-dimensional, cubic-lattice setting Ising model. The results explicitly account for the influences of Monte Carlo temperature and a single angle of inclination. The computed driving force and mobility were used to establish the parametric links with a deterministic continuum model that could be informed by experimental data. The calibrated Monte Carlo paradigm, thus endowed with physical time, length and energy scales, was validated and applied to study grain boundary motion for a set of mixed driving forces within a bi-crystal setting. Polycrystalline simulations were subsequently launched to capture texture evolution with bulk energy effect.

A Quantitative Description of Grain Boundary Kinetics for the Cubic-Lattice Ising Model and Its Application. L.Zhang, T.Bartel, M.T.Lusk:  Modelling and Simulation in Materials Science and Engineering, 2012, 20[1], 015009