Nb和Al含量對Nb在TiAl中有序化的影響

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

摘要: 運用原子間相互作用的對勢模型計算了不同Nb,Al含量下Nb在TiAl點陣中不同無序占位和有序占位的能量,發現Nb在TiAl中占據Ti亞點陣,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.