论文部分内容阅读
根据固体与分子经验电子理论分析计算了Ｔｉ－Ａｌ系金属间化合物及含氢各相的价电子结构与解理能。结果表明，Ｔｉ３Ａｌ的氢脆是由于高氢含量下易生成δ脆性相引起的，而ＴｉＡｌ的氢脆是由于固溶氢减弱了含氢ＴｉＡｌ晶胞主干键并降低了解理能引起的。同时解释了一些尚有矛盾的实验结果，并提出了一些解决氢脆的实际方法。
The valence electron structures and cleavage energies of the Ti-Al-based intermetallic compounds and hydrogen-containing phases were calculated based on empirical electron theory of solids and molecules. The results show that the hydrogen embrittlement of Ti3Al is mainly caused by the brittle phase of δ due to the high hydrogen content, while the hydrogen embrittlement of TiAl is due to the weakening of the main bond of hydrogen-containing TiAl unit cell and the decrease of cleavage energy. At the same time, some contradictory experimental results were explained and some practical solutions to the problem of hydrogen embrittlement were put forward.