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中文摘要：
基于微观相场理论,利用Khachaturyan所给原子间作用势与长程序参数关系方程得出L12结构第一近邻原子间作用势推演公式,反演出Ni-Al-Fe合金L12结构第一近邻原子间作用势。反演结果表明,Ni-Al和Ni-Fe第一近邻原子间作用势（即WNi-Al和WNi-Fe）随温度升高而增大。随Al原子浓度增大,WNi-Al增大而WNi-Fe减小,反之亦然。且原子间作用势随温度升高呈线性增大;原子间作用势随原子浓度变化近似呈线性变化。将反演作用势反代入到微观相场方程中得到的原子演化图的晶粒更细,同时其有序结构的有序度会更高。
英文摘要：
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（WNi-Al） and Ni-Fe（WNi-Fe）＇s first nearest neighbor atomic interaction potentials will increase linearly with the temperatures rising.WNi-Al increases but WNi-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.
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