CAJ | 학술논문

应用基于价键理论和能带理论建立的固体与分子经验电子理论(EET)和改进的界面TFD理论,将合金宏观性能的研究追溯到原子成键的电子结构层次,并对 Al-Mg-Si 合金的序列析出相内部原子间的价电子成键及其与基体界面间形成的界面键络特征研究进行总结,比较各析出相的键强、结合能以及析出相与基体的界面能.结果表明:β″相对合金的强化作用最显著,pre-β″相的次之;结合能与最强键键能的变化也能反映熔点的变化,pre-β″相、β″相与U1相的熔点比基体和其他GP区的熔点高;各析出相的键强演变规律与实验强化曲线的变化规律相符.
응용기우개건이론화능대이론건립적고체여분자경험전자이론(EET)화개진적계면TFD이론,장합금굉관성능적연구추소도원자성건적전자결구층차,병대 Al-Mg-Si 합금적서렬석출상내부원자간적개전자성건급기여기체계면간형성적계면건락특정연구진행총결,비교각석출상적건강、결합능이급석출상여기체적계면능.결과표명:β″상대합금적강화작용최현저,pre-β″상적차지;결합능여최강건건능적변화야능반영용점적변화,pre-β″상、β″상여U1상적용점비기체화기타GP구적용점고;각석출상적건강연변규률여실험강화곡선적변화규률상부.
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 theβ″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.