Nb和Al含量对Nb在TiAl中有序化的影响

Effects of Nb and Al Contents on the Nb Ordering in TiAl

摘要: 运用原子间相互作用的对势模型计算了不同Nb,Al含量下Nb在TiAl点阵中不同无序占位和有序占位的能量,发现Nb在TiAl中占据Ti亚点阵,并且Nb和Al含量的增加有利于Nb原子的有序占位.

Abstract: The energy of different Nb disordering and ordering substitution in TiAl with various composition is calculated using the pair-wise potential model. It is observed that the Nb atoms situated on the Ti sublattice in TiAl, and the increasing of Nb and Al contents is beneficial for the ordering occupation of Nb atoms.