Al-Ag合金GP区的价电子结构与界面能

Valence Electron Structure of GP Zone and Interface Energy in Al-Ag Alloy

运用固体经验电子理论,对Al-Ag合金GP区?相的价电子结构进行计算,并且在此基础上计算了GP区和基体的界面能。从计算得到的价电子成键的结果中,发现Ag-Ag原子之间的结合倾向最大,表明时效过程中,Ag-Ag原子容易出现偏聚。GP区有较强的共价键络,是Al-Ag合金时效硬化的重要本质原因。从电子成键角度阐明GP区与基体的共格界面能较低,是GP区能够生成长大的重要原因。

The valence electron structure of GP zone ? phase in Al-Ag alloy was calculated according to the “empirical electronic theory in solid”(EET), and the interface energy based on the information of the valence electron structure was calculated also. The results showed that the Ag-Ag atoms was easy prone to combine, It was deduced the Ag atoms was incline to assemble in the GP zones. The inner essential reason responsible for the Al-Ag alloy for that the aging hardening was the GP zone with stronger covalent bond net, and for that the GP zone was able to form and grow up was owing to the very lower interface energy between the GP zone and the bulk.