(廣西大學(xué) 物理科學(xué)與工程技術(shù)學(xué)院，南寧 530004)
摘 要: 應(yīng)用基于價(jià)鍵理論和能帶理論建立的固體與分子經(jīng)驗(yàn)電子理論(EET)和改進(jìn)的界面TFD理論，將合金宏觀性能的研究追溯到原子成鍵的電子結(jié)構(gòu)層次，并對(duì)Al-Mg-Si合金的序列析出相內(nèi)部原子間的價(jià)電子成鍵及其與基體界面間形成的界面鍵絡(luò)特征研究進(jìn)行總結(jié)，比較各析出相的鍵強(qiáng)、結(jié)合能以及析出相與基體的界面能。結(jié)果表明：β″相對(duì)合金的強(qiáng)化作用最顯著，pre-β″相的次之；結(jié)合能與最強(qiáng)鍵鍵能的變化也能反映熔點(diǎn)的變化， pre-β″相、β″相與U1相的熔點(diǎn)比基體和其他GP區(qū)的熔點(diǎn)高；各析出相的鍵強(qiáng)演變規(guī)律與實(shí)驗(yàn)強(qiáng)化曲線的變化規(guī)律相符。
關(guān)鍵字: Al-Mg-Si合金；析出相；原子成鍵；界面
（School of Physics Science and Engineering, Guangxi University, Nanning 530004, China）
Abstract:The macro-property of the alloy was gone back to the electronic scale of atomic bonding by using the empirical electronic theory (EET) in solid and molecule and the improved interface TFD theory established based on bond theory and band theory. The investigation of interface bonding feature of the atomic bonding of sequence phase and the atomic bonding at the interface between the matrix and the precipitate in Al-Mg-Si alloy was systematically summed through comparing the bond strength, cohesive energy, interface energy between the precipitate and the matrix. The results show that the most effect of strengthening for the alloy is owing to the β″ phase, the second is the pre-β″ phase; the variation of the cohesive energy and the strongest bond energy can also show the melting point of the alloy, which indicates that the melting points of pre-β″ phase, β″ phase and U1 phase are higher than those of GPZ phases and the matrix. The calculated results of atomic bond strength evolution of precipitates are in good agreement with the experiment results of the strengthening alloy.
Key words: Al-Mg-Si alloy; precipitate; atomic bonding; interface
