Microscopic phase-field simulation of atomic migration characteristics in Ni75AlxV25−x alloys

Atomic migration characteristics of phase transformation in Ni75AlxV25−x alloys were investigated with the microscopic phase-field simulation. The results show that the preferential growth direction of D022 is the [100] direction, L12 phase is substituted by D022 along this direction, the D022 results in a plates shape and is parallel to L12 at the final. The atomic substitution behavior in the [100] direction also exhibits the site preference, which results in the changeless of Ni atom plans of L12 and D022, thus the substitution modes have the least atom jump quantities, the minimizing energy of atomic jump is accordant with the particles alignment along the elastic soft directions. It is also found that the atomic substitution modes of L12 → D022 in the early stage are similar to that of D022 → L12.