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New Computational Technique for Evaluating Deformation of Nanocrystalline Metal using Phase Field Crystal Method

The phase field crystal (PFC) method is anticipated as a new multiscale method, because this method can reproduce physical phenomena depending on atomic structures in metallic materials on the diffusion time scale. Although the PFC method has been applied to some phenomena, there are few studies related to evaluations of mechanical behaviors of materials by appropriate PFC simulation. In a previous work using the PFC method, tensile deformation simulations have been performed under conditions where the volume change was unavoidable during plastic deformation. In this study, to reproduce deformation under isovolumetic conditions, we proposed a novel numerical technique for PFC deformation simulation. Moreover, to evaluate the contribution of the driving force α (temperature) on deformation behaviors, we performed the tensile deformation simulations of nanopolycrystalline structures with different temperatures. The results confirmed that the resitence to dislocation motions increased by lowering temperature. As a results, grain rotation and grain boundary migration were restrained.