采用中子衍射法测定了Ｃｒ，Ｍｏ，Ｔｉ，Ｎｉ，Ｍｎ，Ｓｉ等代位原子在ＤＯ３结构Ｆｅ３Ａｌ亚点阵中的原子占位，并从解离能角度探讨了原子对之间的相互作用及对合金室温塑性的影响、结果表明：Ｃｒ，Ｍｏ，Ｔｉ都占据Ａｌ原子的次近邻位置，替代Ｆｅ原子；Ｎｉ，Ｍｎ占据Ａｌ原子的最近邻位置；（Ｓｉ＋Ａｌ）当量成分以内的Ｓｉ原子替代占据Ａｌ原子的位置．由于Ａｌ—Ｃｒ原子对的结合能低于Ｆｅ—Ａｌ，Ａｌ—Ｍｏ及Ａｌ—Ｔｉ对，降低次近邻反相畴界能，因此，Ｃｒ元素的加入提高ＤＯ３结构Ｆｅ３Ａｌ的室温塑性 The atomic occupancy of Cr, Mo, Ti, Ni, Mn, Si and other substituted atoms in the Fe3Al sub-lattice of DO3 structure was measured by neutron diffraction method. The interaction between atomic pairs and the dissociation energy The results show that Cr, Mo and Ti occupy the nearest neighbor position of Al atoms instead of Fe atoms; Ni and Mn occupy the nearest neighbors of Al atoms; Si atoms substitution occupy (Si + Al) equivalent components Al atom position. As the binding energy of the Al-Cr atom pair is lower than that of the Fe-Al, Al-Mo and Al-Ti pairs, the lower-