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Extended Hückel molecular orbital (EHMO) calculation was applied to study the stability of a solute cluster, the so-called Guinier-Preston (GP) (I) zone, that appears at a low ageing temperature in AlCu alloys. To investigate the reason that the solute cluster is preferentially formed in {001} planes of supersaturated aluminium-base matrix, the stabilities of hypothetical solute clusters lying in three different crystallographic planes indexed with (001), (110), and (111) were compared, based on the total energy which is calculated quantum-mechanically for an individual model-cluster. The internal structure of GP (I) zones in AlCu alloys were also investigated. Lastly influences of additional elements on the stability of the GP (I) were examined with the EHMO calculation.
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Takeda et al. (1992) studied this question.
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