| Abstrakt: |
The nickel sites of a D022-Ni3V phase are subdivided into Ni1 and Ni2 sublattices according to their coordination sphere difference. The occupancy probability (OP) differences influenced by the coordination sphere are inter-preted using the microscopic phase fleld model. The OP of regular atoms (NiNi1, NiNi2), antisite defects (VNi1, VNi2), and substitutional defects (AlNi2, AlNi1 have strong site preferences, as well as temperature-dependence features, on both sublattices. These features involve both redistribution of components, and phase transition from D022 to L12. [ABSTRACT FROM AUTHOR] |
