Fe3Al氢脆机理的研究

用余氏理论计算了氢对Ｆｅ３Ａｌ金属间化合物键结构、键能和电子分布的影响，分析发现，Ｆｅ３Ａｌ的氢脆是由于氢原子溶入扣引起Ｆｅ，Ａｌ原子状态变化。使晶体内晶格电子数大大减少，导致晶体局域金属性减弱，并构成具有严重各向异性的键络的结果。同时得出，氢在Ｆｅ３Ａｌ中占据间隙位置。

HYDROGEN EMBRITTLEMENT BEHAVIOUR IN Fe_3Al

The effect of hydrogen on the bond structures.bond energy and electron distributions of intermetallic compound Fe3Al is investigated by Empirical Electron Theory of Solids and Molecules.The hydrogen embrittlement in Fe3Al is due to dissolving of hydrogen atoms to change the atomic state of Fe3Al resulting from the sharply reduction of lattice electrons,which cause the decrease of local metallicity,and the formation of severely anisotropic bond structures.At the same time,the hydrogen atoms may occupy the interstitial sites in Fe3Al.