Structure and migration characteristic of heterointerfaces during the phase transformation from L1₂ to DO₂₂ phase

Abstract

Based on the microscopic phase-field model, the structure and migration characteristic of ordered domain interfaces formed between DO₂₂ and L1₂ phase are investigated, and the atomistic mechanism of phase transformation from L1₂ (Ni₃Al) to DO₂₂ (Ni₃V) in Ni₇₅Al _xV_25−x alloys are explored, using the simulated microstructure evolution pictures and the occupation probability evolution of alloy elements at the interface. The results show that five kinds of heterointerfaces are formed between DO₂₂ and L1₂ phase and four of them can migrate during the phase transformation from L1₂ to DO₂₂ except the interface (002)_D//(001)_L. The structure of interface (100)_D//(200)_L and interface (100)_D//(200)_L·1/2[001] remain the same before and after migration, while the interface (002)_D//(002)_L is formed after the migration of interface (002)_D//(002)_L·1/2[100] and vice versa. These two kinds of interface appear alternatively. The jump and substitute of atoms selects the optimization way to induce the migration of interface during the phase transformation, and the number of atoms needing to jump during the migration is the least among all of the possible atom jump modes.

Keywords

phase transformation / ordered domain interface / interface migration / microscopic phase-field / Ni₇₅Al _xV_25−x alloy

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