【摘要】 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更多还原

【Abstract】 Based on the average lattice and average atom models, effects of interstitial impurities on the valence electron structures and phase transformation of Ti Al alloys are analyzed, and the degree of descension of bond energy, melting point and liquidus temperatures as affected by interstitial impurities are calculated by the bond energy formula of the EET. Those chief experimental results about phase transformation in Ti Al alloys that are still in some dispute today are then explained. It is shown that, as a result of the interstitial impurities, the number of atomic states increases, bond structures become seriously anisotropic, β→α transformation becomes hindered, and the phase transformation in the intermediate content becomes very complex. Also, the melting point and liquidus temperatures tend to decrease, for which the average decrease can be estimated through approximation by the EET.更多还原