Cu-Zn合金固溶体的价电子结构分析

基于固体与分子经验电子理论(EET),对Cu及Cu-Zn合金固溶体的价电子结构进行分析,计算一组表征金属和合金相性质的价电子结构参数统计值n′A,E′A,研究价电子结构参数σΝ与合金稳定性的关系。计算结果表明,Cu的统计值n′A,E′A与相应的最可几值nA,EA,的计算偏差分别为5.72%和6.86%;Zn原子的加入,提高Cu晶胞中最强共价键的结合能力,使n′A由0.353937增大到0.391175,起到了固溶强化作用;同时,Zn原子溶入,使σΝ急剧增大,增强基体的稳定性。

Analysis of valence electron structures of Cu-Zn alloy solid solutions

Based on the empirical electron theory of solid and molecules (EET), the valence electron structures of Cu and Cu-Zn alloy solid solution are analyzed, and a set of statistical values of valence electron structure parameters n'_A and E'_A which can characterize the properties of metals and alloy phases are calculated, the relationship between the valence electron structure parameter σ_N and the stability of alloys is studied. The results show that the calculation deviations of statistical values n'_A and E'_A, with the corresponding most probable value n_A and E_A of Cu are 5.72% and 6.86%. The binding ability of the strongest covalent bond in the Cu cell with the statistical n'_A from 0.353 937 to 0.391 175 is enhanced, and plays a solid solution strengthening effect. At the same time, with the Zn atoms joining, the σ_N value increases dramatically, and the stability of the matrix enhances.