运用固体与分子经验电子理论(EET),计算了Al—Cu—Mg合金时效初期的偏聚晶胞及其GPB区的价电子结构,并从价电子结构层次分析了Al—Cu—Mg合金时效初期的各种晶胞对合金性能的影响.结果表明:在含有Cu和Mg的偏聚晶胞中,Ge8区具有较强的共价键络,能够提高合金的整体强度;在含有空位的偏聚晶胞中,Mg原子的杂阶能级偏低,该晶胞易成为后续析出相的形核胚芽.
The valence electronic structures of the segregation cell and GPB zone in Al-Cu-Mg alloy in early aging condition were calculated according to the Empirical Electron Theory (EET) in Solid and Molecules, and the effect of all kinds of cells on properties based on valence electron structure levels in early aging condition was analyzed. The results show that the covalence bond-net of segregation cell containing Mg and Cu atoms and GPB zone were much stronger, which enhance the whole covalence bond strength of alloy. The energy level of Mg atom in the segregation cell containing vacancy was lower, therefore, the cell became easily the nucleus of the next precipitations.