中文摘要：

考虑温度对晶格常数的影响，运用固体与分子经验电子理论，对Al-Ag合金的Ⅵ型GP区的价电子结构进行计算；在此基础上，运用Beeker推广模型，对该体系的η型GP区与基体之间的界面能进行预测。从计算得到的各种价电子成键结果中发现，η型GP区的Ag-Ag原子之间的结合倾向最大，表明时效过程中，Ag原子容易以η型GP区的形式出现偏聚；与原合金的均相过饱和固溶体相比，η型GP区有较强的共价键络，是Al-Ag合金时效硬化的重要原因；η型GP区与基体的共格界面能较基体晶粒间的界面能低，是η型GP区形成和生长的有利条件，同时计算结果体现了温度对界面能的影响。

英文摘要：

Taking into account the influence on the lattice constant from temperature, the valence electronic structures of GP zones of η-form in the Al-Ag alloy, and the interfacial energy between GP zones of η -form and matrix were calculated by using empirical electron theory in solid and molecules （EET） and the extension of Becker model. The results showed thatthe bigger tendency to unite of Ag and Ag atoms in GP zones of η-form, the stronger covalence bond-net in the GP zones of η-form which revealed the origin of strengthening for matrix by GP of η-form zones, and the lower interfacial energy between GP zones of η- form and matrix which was beneficial to growth of GP zones.