论文部分内容阅读
In this paper, the possible reasons for the high thermal vacancy concentration and the low migration barriers for the Fe atom diffusion in the stoichiometric D03 structure Fe3Si have been discussed. The high thermal vacancy concentration was attributed to the compression of Fe-Fe atomic pairs and the tension of Fe-Si atomic pairs in Fe75Si25. The deformations (compression or tension) of the atompairs increase the interatomic potentials and thus decrease the enthalpies of vacancy formation. The low migration barriers for the Fe atom diffusion in Fe75Si25 were related to the symmetric property of the triangular barriers. Additionally, it was considered that the Si atoms in Fe3Si could probably migrate via nearest-neighbour jumps without disturbing the long-range order of atomic arrangements, provided that during the diffusion process the residence time on the antistructure sites is very short.