Al-Cu-Mg合金析出相的原子成键与性能

Atomic Bonding and Mechanical Property of Precipitations in Al-Cu-Mg alloy

根据固体与分子经验电子理论(EET),计算Al-Cu-Mg合金时效初期形成的GPB区和S″相的价电子结构。结果表明,GPB区具有较强的共价键络,而S″具有较强的总共价成键能,这两种析出相的主体共价键络都对合金基体具有增强作用。同时从价电子结构层次和析出相中Al原子的总成键能力合理解释了GPB区演化为S和S相的相变机理,并说明了相变对合金的强化作用。

The valence electronic structures of the GPB zone and S＂ phase of A1-Cu-Mg alloy in earlier aging condition are calculated according to the Empirical Electron Theory （EET） in Solid and Molecules. The results show that the covalence bond-net is much stronger than in GPB zone and the whole covalence energy of S＂ phase is much strong. The primary bond-net framework of the precipitations can consolidate matrix. At the same time, the phase transformation from GPB zone to S＂, and the steady S phase which increases whole intensity of alloy is finally formed, is reasonably explained based on level of the valence electron and total bonding capacity of Al atom in the precipitations.