Al-Cu-Mg合金时效初期的价电子结构分析  

The Analysis of Valence Electronic Structure of Al-Cu-Mg Alloy in Early Aging Condition

作　　者：高玉梅[1] 侯贤华[2] 王庆松[2] 

机构地区：[1]电子科技大学中山学院电子工程系,广东中山528402 [2]广西大学物理科学与工程技术学院,广西南宁530004

出　　处：《海南大学学报（自然科学版）》2006年第2期123-128,共6页Natural Science Journal of Hainan University

基　　金：国家自然科学基金资助项目(50061001);广西科学基金资助项目(桂科配0135006;桂科自0007020)

摘　　要：运用固体与分子经验电子理论(EET),计算了A l-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A l-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,GPB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.

关 键 词：Al—Cu—Mg合金 价电子结构 GPB区 偏聚晶胞 

分 类 号：TG145[一般工业技术—材料科学与工程]