MATERIALS SCIENCE AND TECHNOLOGY OF MATERIALS

Durability invesigation of boundaries between grains of aluminum doped with different impurities

V. G. Zavodinskу^a, Yu. G. Kabaldin<sup>b

a</sup> Institute for Material Studies, Khabarovsk Scientific Center, Far Eastern Branch of the Russian Academy of Sciences
^b Nizhny Novgorod State Technical University

Abstract: The density functional theory and the pseudopotential method are used to study reaction of grain boundaries in aluminum (pure and doped with Mg, P, Sc, Zr and Ti). It was shown that impurities can increase or decrease the tensile strength and the elongation limit. The best effect was obtained for doping with zirconium and titanium; the worst effect gives phosphorus.

Keywords: Ab initio simulation; aluminum; grain boundaries; tensile strength; dopant influence.

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