从电子结构和成键特性分析高Cu/Mg比Al-Cu-Mg-Ag合金强化机制

Study on the Strengthening Mechanism of Al-Cu-Mg-Ag Alloy with the Valence Electron Structures and Atomic Bonding of Precipitates

摘要:

提出了计算高Cu/Mg比Al-Cu-Mg-Ag合金主要析出相W相及相界面电子结构的计算模型与方法，从合金相结构因子和相界面结合因子分析了合金的强化机制。基于余氏的固体分子经验电子理论和程氏改进的TFD理论，对Al-Cu-Mg-Ag合金主要析出相Ω相及相界面电子结构进行了计算，发现合金相及相界面价电子结构与合金强化机制有密切的关系，并从电子结构层次上阐释分析了合金中θ′, Ω，θ相的竞争相析出机制及对合金强化机制的影响

Abstract:

This work aims to develop a physically based numerical model to calculate the valence electron structures and atomic bonding of the precipitates of Al-Cu-Mg-Ag alloy with high Cu/Mg ratio with the empirical electron theory of solids and molecules. The valence electron structures and the interface conjunction of W phase were calculated, and they were investigated with the phase structure factor. Accordingly, on the basis of the empirical electron theory of solid and molecules, the precipitation and stability of the precipitates and the strengthening mechanism of Al-Cu-Mg-Ag alloy were explained on the level of valence electron structure