Al-Zn合金GP区的价电子结构及界面能

Electron Structure and Interphase Boundary Energy of GP Zone in Al-Zn Alloy

运用固体经验电子理论计算Al-Zn合金GP区的价电子结构,并运用其价电子结构的信息计算其与母相的界面能。结果表明,由于GP区晶胞最强键上的共价电子数远比纯Al晶胞最强键共价电子数多,Al原子极易与Zn原子形成共价键,所以在Al-Zn合金中即使以最快速度淬火,也能在淬火过程中形成GP区,且合金硬度在GP区开始形成时就稳步上升,而于中间相形成前达到最大值。运用EET理论计算界面能是简便且行之有效的方法。

The valence electron structure of GP zone in Al-Zn alloy is calculated according to the empirical electron theory. The result of valence electron structure is further applied to analyzing the interphase boundary energy between GP zone and matrix. The GP zones are formed even at the highest quenching speed, and the hardness is stably ascended as soon as GP zones are formed and reached the maximum before the form of metastable phase, because the number of the strongest covalent bond in GP zones is far more than that in α-Al cell and Al atom is easily prone to forming covalent bond with Zn atom. It is an easy and effective method to apply EET theory to the calculation of interphase boundary energy.