Effects of temperature and grain size on phase-field-crystal deformation simulation

We performed deformation simulations of nanocrystalline structures under different temperature and grain-size conditions using the phase-field-crystal (PFC) method with an isovolumetric numerical scheme proposed by Hirouchi et al. [Development of numerical scheme for phase field crystal deformation simulation. Comput Mater Sci 2009;44:1192–7.], and we discussed the deformation behavior of bicrystalline and polycrystalline metallic materials during plastic deformation in detail. As a result, we were able to observe typical plastic deformation behavior such as the generation, annihilation and movement of dislocations as well as grain rotation and grain boundary (GB) migration depending on the grain size and temperature. It was concluded that the PFC method with the isovolumetric deformation scheme is a powerful tool for simulating polycrystalline metals, because the obtained behaviors were in qualitative agreement with the results obtained by molecular dynamics (MD) simulations and experiments.