Mg-Al合金固溶强化的电子理论研究

Electron theory of Mg-Al alloy solid solution strengthening

基于EET理论,采用平均原子模型计算了Al的质量分数为0、2%、4%、6%、8%、10%的Mg-Al合金晶胞的电子结构参数统计值n′A;利用n′A获得了一组表征合金强化效果的固溶强化系数SMg-Al,其数值分别为1、1.008 73、1.017 47、1.026 29、1.035 11、1.043 94;研究了电子结构参数σN与合金稳定性的关系。结果表明:Al原子的加入,增大了Mg晶胞中最强共价键的n′A值和σN值,提高了原子间的结合力及基体的稳定性,起到了固溶强化作用;SMg-Al值随溶质含量的增加单调递增,合金的固溶强化效果越好。

Based on the empirical electron theory of solids and molecules （EET） , the statistical values of electron structure parameter n＇A of Mg-Al alloy cell, whose mass fraction is 0, 2%, 4%, 6%, 8%, 10%, were calculated by using the average atoms model; and the solid solution strengthening coefficient S^Mg-Al which characterizes the strengthening effect of alloy, whose values are 1,1.008 73, 1.017 47, 1.026 29, 1.035 11,1.043 94, respectively, were calculated by using the n＇A; the relationship between electron structure parameter σN and the stability of alloys was studied. The results show that with the increase of A1 content, the values of n＇A and σN are enhanced, and the binding ability between atoms and the stability of Mg matrix are reinforced, which plays a solid solution strengthening effect. The larger the S^Mg-Al value is, the better solid solution strengthening effect is.