Phase Field Crystal Modeling for Nanocrystalline Growth

Abstract

The two-mode phase field-crystal (PFC) method is used to simulate the nanograin growth, including the grain growth in different sets of crystal planes, the grain boundary structure with mismatch, the grain orientation and also the incoherent grain boundary in two dimensional plane. It is obviously observed that there are dislocation structures in nanograin boundary due to mismatch and misorientation of grains. These simulation results can not only be used in artificial controlling the grain boundary of nanograin, but also is of significant for designing new nanograin with a good grain boundary for structure materials.