(廣西大學 物理科學與工程技術學院，南寧 530004)
摘 要: 應用固體經(jīng)驗電子理論計算Al-Li-Zr合金中若干析出相與基體的界面原子成鍵強度和異相界面的界面能。結果表明，δ′相與基體之間的界面電子密度在較低的應力下保持連續(xù)，使得δ′相與基體界面的結合較好，起到界面增強的效果；δ相與基體間界面電子密度在一級近似下不連續(xù)，使得與基體間界面結合強度較弱，引起界面結合弱化。對于核殼結構的復合相δ′/β′，界面電子密度差較小，且界面能最低，使得δ′相容易在β′相上異質(zhì)形核長大形成復合δ′/β′相。由此從界面原子成鍵角度揭示析出相對合金起強弱化作用的原因，及其對合金力學性能的影響。
關鍵字: Al-Li-Zr合金；原子成鍵；相界面；力學性能
（College of Physics Science and Engineering, Guangxi University, Nanning 530004, China）
Abstract:The atomic bonding and interface energy between precipitation and matrix of Al-Li-Zr alloy were calculated by using the “Empirical Electronic Theory in Solid” (EET). The result shows that the electronic density in interface between δ′ phase and matrix, is continuous under one order approximation at low stress condition, which gets a good combination in interface between δ′ phase and matrix, and strengthens the interface; the electronic density in the interface between δ phase and matrix is not continuous under one order approximation, which make the interface combination weak. For the complex phase δ′/β′ with core and shell structure, not only the interface electronic density is smaller, but also the interface energy is lower, which results to form a complex δ′/β′ phase through the inhomogeneous nucleation of δ′ phase on β′ particles. It can reveal the reason why the precipitation can strengthen and weaken the alloy and thus affect the alloy properties.
Key words: Al-Li-Zr alloys; atomic bonding; interface, mechanical property
