当量成分AB和A3B型合金有序─无序转变行为

Order-disorder Transition Behaviors of Stoichiometrical AB and A3B Alloys

  • 摘要: 利用EAM(Embedded Atom Method)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.

     

    Abstract: The order-disorder transitions of stoichiometrical AB and A3B alloys were studied by using effective-atom model based on EAM (embedded atom method) potential.The results give the analytic function form of the free energy in term of the long range order (LRO) parameter,and indicate that order-disorder transition behaviors of stoichiometrical AB and A3B alloys may be different. This method can be applied to interpret the experimental results of order-disorder transition in stoichiometrical NiAl and Ni3Al.

     

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