The influence of alloying elements on grain boundary and bulk cohesion in aluminum all : Ab initio study

• The effect of B, Si, P, Cr, Ni, Zr and Mg on cohesive properties of Al and the specialgrain boundary (GB) Σ5 (210)[100], as well as their segregation behavior at the GB and the (210)surface are studied by first principles method. The analysis of these parameters allows us to singleout Ni as the best and phosphorus as the worst interatomic bond strengthening alloying elements.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

Nyckelord

ab initio calculation

grain boundary segregation

grain boundary strengthening

surface segregation

aluminum alloys

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