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

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.