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利用EAM(EmbeddedAtomMethod)势基础上的等效原子模型分析了结构稳定性与长程有序度的关系,给出了二元体系结合能与长程有序度解析关系的一般表达式,说明当量成分下AB和A3B型合金有序无序转变行为的不同,并以NiAl和Ni3Al为研究对象具体研究了其有序无序转变,从理论上解释了这两种有序金属间化合物在实验中所表现出的不同有序无序转变行为特征.
The relationship between structural stability and long-range order degree is analyzed by using equivalent atomic model based on EAM (EmbeddedAtom Method) potential. The general expression for the analytical relationship between the binding energy and long-range order degree of binary system is given. AB and A3B alloys. The orderly and disorder transitions of NiAl and Ni3Al were studied, and the theoretical results of these two kinds of ordered intermetallic compounds in experiments Out of different orderly and disorderly transitional behavior characteristics.