Fe-25Al铝化物的电子结构及其本质脆性

Electron Structures and Intrinsic Brittlement of Fe-25Al Aluminides

铁铝金属间化合物是一类具有良好应用前景的新型材料 ,但室温脆性影响了其进一步应用。本文基于Fe 2 5Al各种物相的晶体结构和实际原子占位 ,运用固体与分子经验电子理论 (EET)建立起Fe 2 5Al各相的价电子结构。通过比较不同相结构的价电子结构参数 ,对Fe3Al的室温脆性进行了阐述。认为较少的晶格电子、键络分布不均匀使Fe3Al具有本质脆性 ,添加固溶组元可以改变价电子结构参数从而改善强度和韧性。

Iron aluminides with many property advantages have led to the consideration for many applications. However,limited ductility at ambient temperature has been major deterrents to its acceptance for structural applications. Electron structures of various iron aluminides phases are made based on the calculation of the empirical electron theory of solids and molecules (EET). According to the analysis of electron structures,iron aluminides exhibiting intrinsic brittle is due to less lattice electron and heterogeneity of bond complex distribution. It is possible for alloying element to strengthen and toughen iron aluminides through altering electron structure parameters.