Soft X-ray XAFS Analysis of Cluster Formation Behavior during Natural Aging on an Al–Mg–Si Alloy

Abstract

This study investigated cluster formation in the early stages of natural aging in Al–1.04 mass%Si–0.55 mass%Mg alloys by soft X-ray XAFS measurements and first-principles calculation. XAFS measurements at the Mg-K and Si-K edges were carried out at the BL27SU beamline at SPring-8. It was found that the absorption edge energies changed as aging proceeded. Density functional theory (DFT) calculations were used to determine the valence electron densities near Si and Mg atoms and to simulate the Si-K and Mg-K edge spectra for some cluster models. On the basis of the results, it was demonstrated that Si and Mg atoms formed clusters in four stages (I–IV) during natural aging. In stage I, Si-vacancy pairs, Mg-vacancy pairs, and a combination of both were formed. In stage II, vacancies were released from the clusters formed in stage I. In stage III, Mg-vacancy pairs were included in the clusters. In stage IV, the clusters coarsened through the release of vacancies. These results indicate that soft X-ray XAFS, which is capable of identifying individual elements, has the ability to provide information on such clusters.

 

This Paper was Originally Published in Japanese in J. JILM 71 (2021) 144–151.

XANES spectra near Si-K edge of Al–Mg–Si alloys and reference samples during natural aging. In this study, the spectra near the absorption edge indicated by the red dotted circle were noted.