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基于EET理论和Gerold的Al-Cu合金GP区终态原子结构模型,研究了GP区、基体α相的价电子结构,计算了GP区与基体α相形成的界面{001}GP//{001}α的价电子结构。结果表明:GP区的(001)面内外层电子密度差Δρ相差很小,只有1.81%,GP区内外的连续性很好;GP区的(001)面内层、外层与基体α之间的电子密度差Δρ分别为6.29%与4.48%,平均电子密度差为5.38%,(001)α-Al//(001)GP界面连续性很好;GP区的(100)面与基体α之间的电子密度差Δρ为64.13%,(001)α-Al//(100)GP界面连续性较差;GP区向θ″相转变时,θ″相在GP区的(100)面形成比在(001)面形成容易。
Based on the EET theory and the final atomic structure model of GP region of Al-Cu alloy in Gerold, the valence electron structures of GP region and matrix α phase were studied. The interface {001} GP // {001 } The valence electron structure of α. The results show that there is a small difference of Δρ between the inner and outer layers of the (001) plane in the GP region, only 1.81%, and the continuity inside and outside the GP region is very good. Between the inner and outer layers of the GP region (001) (001) α-Al // (001) GP interface is good; the difference between the (100) plane of the GP region and the matrix α (001) α-Al // (100) GP. The continuity of the (001) α-Al // (100) GP interface is poor. For the transition from GP to θ " It is easy to form on the (001) plane.