Al-Cu合金析出相的原子键强与性能  

Calculation on Atom Bonding of Precipitate Phase in Al-Cu Alloy

作　　者：黄创高[1] 文春丽[1] 韦娜[1] 刘慧[1] 高英俊[1] 

机构地区：[1]广西大学物理科学与工程技术学院,南宁530004

出　　处：《有色金属》2010年第2期1-6,共6页Nonferrous Metals

基　　金：国家自然科学基金资助项目(50661001;50061001);广西科学基金资助项目(桂科基0639004;0832029;0991026)

摘　　要：应用固体经验电子理论(EET),对Al-Cu合金时效过程中θ″、θ′和θ相的键络进行计算。结果表明,时效初期形成的θ″相中,最强共价键为Al-Cu键。合金中θ″相溶解并析出相时,Cu原子状态发生明显变化,使得Cu原子的共价电子数有较大幅度的提高,此时形成的亚稳相的最强共价键仍为Al-Cu键,较θ″相的最强Al-Cu键提高一倍。时效后期,合金析出稳态θ相,最强键由θ′相的Al-Cu键转为Cu-Cu键,而Al-Cu键成为次强键。依靠Cu原子提供较多的共价d电子,使θ相的共价键络较θ′亚稳相的共价键络强度进一步提高。According to 'Empirical Electron Theory in solid and molecules'(EET),the valence electron structures of some precipitates of Al-Cu alloy in aging are calculated.The results show that during the early aging,Cu atoms in θ″ phase are at lower hybrid-state than that in copper metal,when the θ″ phase is dissolved and the θ phase is formed,the state of Cu atom is enhanced from ninth up to thirteenth hybrid-state which causes the greatly increase of covalence electronic numbers in Cu atoms,so the Cu-Cu covalence ...

关 键 词：金属材料 AL-CU合金 原子成键 析出相 合金强化 热稳性 

分 类 号：TG146.21[一般工业技术—材料科学与工程]