Al-Cu合金脱溶相/基体界面价电子结构与界面性能  

Valence Electron Structure and Its Properties of Interfaces between Precipitated Phases and Matrix in Al-Cu Alloy

作　　者：屈华[1] 刘伟东[1] 王海霞[1] 

机构地区：[1]辽宁工业大学,辽宁锦州121001

出　　处：《稀有金属材料与工程》2011年第S2期140-145,共6页Rare Metal Materials and Engineering

基　　金：辽宁省自然科学基金项目(20031083)资助

摘　　要：基于EET理论,研究Al-Cu合金θ″、θ′、θ与基体α相的价电子结构,计算分析了α/θ"、α/θ′、α/θ界面的价电子结构。研究结果表明:θ"相(001)晶面内外层电子密度相差较大,为2.857nm-2,(001)α//1Al''(001)θ界面电子密度差Δρ为0.13%,使界面电子密度保持连续的原子状态组数σ为102,α/θ″界面的连续性较好;θ′相(001)晶面内外层电子密度相差较大,为11.8207nm-2,(001)α//Al'(001)θ界面Δρ为0.15%,σ为32,α/θ′界面的连续性较差;θ相(001)晶面内外层电子密度相差很大,为21.0716nm-2,(001)α//4/4Cu(001)θ界面Δρ为198.86%,σ为0,σ′为34,α/θ界面的连续性极差。依界面价电子结构可知:α/θ"界面应力较小,稳定性较好;α/θ′界面稳定性比α/θ"差,α/θ′界面应力比α/θ"界面的应力大;α/θ界面稳定性比α/θ"、α/θ′界面都差,α/θ界面应力比α/θ"、α/θ′界面应力都大。Based on the empirical electron theory of solids and molecules, the valence electron structures of θ″, θ′, θ and the matrix α in Al-Cu alloy were studied, and then the valence electron structure of their interface α/θ', α/θ′, and α/θ were calculated. The results show that there is a big difference of the electron density of (001) surface of θ″ between inner and outer layer, and the difference is 2.857 nm -2 , the electron density difference Δρ of the interface (001) α // 1 Al θ (001) ′′ is 0.13%, the number of atom state group σ that makes the interface electron density keep continuous is 102, so the continuity of the interface α/θ' is better. There is a bigger difference of the electron density of (001) surface of θ′ between inner and outer layer, and the difference is up to 11.8207 nm -2 , the Δρ of the interface (001) α // Al θ (001) ′ is 0.15%, the σ is only 32, so the continuity of the interface α/θ ′ is bad. There is the biggest difference of the electron density of (001) surface of θ between inner and outer layer, and the difference is as high as 21.0716 nm -2 , the Δρ of the interface (001) α // 4/4 Cu θ ( 001)is 198.86%, the σ is 0, but the σ′ is 34, so the continuity of α/θ is the worst. According to the above calculation results, it is known that the interface stress of α/θ' is small and the stability is good; the interface stability of α/θ′ is worse than that of α/θ', the interface stress of α/θ′ is bigger than that of α/θ'; compared with the interface the α/θ′ and α/θ', the interface of α/θ has the worst stability and the biggest interface stress.

关 键 词：AL-CU合金 脱溶相 界面 价电子结构 EET 

分 类 号：TG111.1[金属学及工艺—物理冶金]