非当量成分Ni3Al基合金的有序─无序转变
Order-disorder Transition Behaviors of Non-stoichiometrical Ni3Al
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摘要: 利用建立在EAM(Embedded Atom Method)势基础上的等效原子模型,计算了模拟非当量成分的Ni3Al基合金结构稳定性与长程有序(LRO)度的关系,结果说明:非当量成分下,Ni3Al基合金有序无序转变温度随Al含量的增加而上升;其有序无序转变为形核长大的非均匀转变过程,理论上不存在稳定的均匀部分有序结构;其介稳的部分状态组织为完全有序区和完全无序区的混合组织.该结果能解释实验中所观察到的Ni3Al基合金有序无序转变。Abstract: The effective atom model based on EAM potential was applied to study the relationship between the structural stability and the long range order parameter of non-stoichiometrical Ni3Al based alloys. The calculated results indicate that the order-disorder transition temperature (Tt) increases with Al composition increasing. The order-disorder transition process is a nucleation-propagation process. The microstructure of partially order state is a mixed microstructure with full disorder and full order domains. The calculated results are consistent with the experimental results.