运用网体与分子经验电子理论(EET)计算了Al-Cu-Mg合金时效过程中产生的GPBZ和S″相的价电子结构以及a-Al/GPBZ和a-Al/S″两相之间的界面电子结构。结果表明:亚稳定S″相的总体键强高于GPBZ,对合金基体具有沉淀强化的作用;同时a-Al、S″两相界面非常连续,对合金基体具有界面强化效果。反映了从GPBZ向S″相转变的相变过程,与实验结果一致。
The valence electronic structures of the GPB zone and S " phase and interface electronic structure of a-Al/GPBZ and a-Al/S " of A1-Cu-Mg alloy in aging processing were calculated using the Empirical Electron Theory (EET) in Solid and Molecules, the results suggested that the total bonding intensity of S " phase was stronger than that of GPBZ, which had precipitation strengthening effect on matrix in alloy; meanwhile, the interface of a-Al/S " was very continuous, which had interface strengthening effect on matrix in alloy. The processing of phase transformation from GPBZ to S " phase was indicated in aging processing, consistent with the result of experiment.