Description of order-disorder transitions based on the phase-field-crystal model.

Abstract

Order-disorder transition is an attractive topic in the research field of phase transformation. However, how to describe order-disorder transitions on atomic length scales and diffusional time scales is still challenging. Inspired from high-resolution transmission electron microscopy, we proposed an approach to describe ordered structures by introducing an order parameter into the original phase-field-crystal model to reflect the atomic potential distribution. This new order parameter contains information about kinds of atoms, showing that different kinds of sublattices in ordered structures can be distinguished by the amplitude of the order parameter. Two case studies, growth of ordered precipitations and evolution of antiphase domains, are also presented to demonstrate the capabilities of this approach.