Microscopic phase-field study on the atomic structure and migration characteristic of ordered domain interfaces

Atomic structure and migration characteristics of ordered domain interfaces formed between DO₂₂(Ni₃V) phases were investigated using the microscopic phase-field model. Studies show that the migration ability is related to the atomic structure of interfaces. During the migration of interfaces, V jumps to the nearest Ni site and exchanges with Ni, and the jump of atoms show site selectivity behaviors. The site selectivity behaviors of atom jumps force the atomic structure retaining the same before and after the interface migration. Transition interfaces formed during the migration are employed to denote the migration characteristics of interfaces. Each migratory interface forms only one kind of distinctive transition interface and has its own atom jump mode. The atom jump mode is the optimal thermodynamic and kinetics way to induce the migration of interfaces.