phase field crystal

In this work, we present a modified two-mode phase-field crystal (PFC) model for nano-structural evolution of materials. The model is used to study both the face-centered cubic (FCC) and body-centered cubic (BCC) orderings, as well as the solid–liquid coexisting phenomenon. This two-mode PFC model incorporates three parameters in its formulation and damps out the dynamics of the system, except near the first two critical wavelengths.

Phase-field crystal (PFC) is a model with atomistic-scale details acting on diffusive time scales. PFC uses the density field as its order parameter, which takes a constant value in the liquid phase and a periodic function in the solid phase. PFC naturally takes into account elasticity, solid–liquid interface free energy, surface anisotropy, and grain boundary free energy by using this single-order parameter in modeling of coexisting solid–liquid structures.