Study on variation of interatomic potentials of Ni-Al-Fe alloy using microscopic phase-field

Variation regularities of atomic interaction potentials of Ni-Al-Fe alloy based on the microscopic phase-field theory were investigated. The first nearest neighbor atomic interaction potentials of Ni-Al-Fe alloy's L1₂ structure were inversed out according to the formula that illustrates the first nearest neighbor atomic interaction potentials of L1₂ structure alloy which was referenced on the relation equation between atomic interaction potentials and long range order parameters by Khachaturyan. The experimental results indicate that Ni-Al (W_Ni-Al) and Ni-Fe (W_Ni-Fe)'s first nearest neighbor atomic interaction potentials will increase linearly with the temperatures rising. W_Ni-Al increases but W_Ni-Fe decreases roughly linearly if Al atom's concentration rises, and vice versa. The inversion potentials are inversed into microscopic phase-field equation, then getting a finer grain of atomic evolution pictures and a higher degree of long range order of structure.