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根据固体与分子经验电子理论分析计算了TiAl及含氢各相的价电子结构与解理能。结果表明,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。同时解释了有关TiAl氢脆的一些尚有矛盾的实验结果,并提出了一些解决其氢脆的实际方法。
The valence electron structures and cleavage energies of TiAl and hydrogen-containing phases were calculated based on empirical electron theory of solids and molecules. The results show that the hydrogen embrittlement of TiAl is due to the weakening of the main bond of hydrogen-containing TiAl unit cell by the solution hydrogen and the decrease of the cleavage energy. At the same time, some contradictory experimental results on TiAl hydrogen embrittlement were explained and some practical solutions to their hydrogen embrittlement were proposed.