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应用固体与分子经验电子理论的平均晶胞和平均原子模型分析计算了间隙杂质对Ti Al合金价电子结构和相变的影响。同时根据该理论的键能公式计算了间隙杂质影响下的键能、熔点和液相线的变化。据此解释了Ti Al合金相变目前尚有争议的主要实验结果。表明 ,间隙杂质提高了合金元素的原子杂阶 ,引起键结构呈严重的各向异性 ,阻碍了 β→α相转变 ,导致中间成分相变的复杂性。间隙杂质也降低了熔点及高温液相线 ,采用近似处理由该理论可较好地计算其平均降低程度
The influence of interstitial impurities on the valence electron structure and phase transition of TiAl alloy was calculated by the average unit cell and average atom model of solid and molecule empirical electron theory. At the same time, the bond energy, melting point and liquidus change under the influence of gap impurities were calculated according to the bond energy formula of the theory. Based on this, the main experimental results of the phase transformation of TiAl alloy are still controversial. It shows that interstitial impurities increase the atomic number of alloying elements and cause serious anisotropy of the bond structure, which hinders the transformation of β → α phase and leads to the complexity of phase transformation of the intermediate components. Gap impurities also lower the melting point and the high temperature liquidus, and the approximate reduction can be better calculated by this theory