The Influence of Alloying Elements on Grain Boundary and Bulk Cohesion in Aluminum Alloys: Ab Initio Study
The effect of B, Si, P, Cr, Ni, Zr and Mg on cohesive properties of Al and the special grain boundary (GB) Σ5 (210), 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 single out Ni as the best and phosphorus as the worst interatomic bond strengthening alloying elements.
T. Chandra, M. Ionescu and D. Mantovani
V. I. Razumovskiy et al., "The Influence of Alloying Elements on Grain Boundary and Bulk Cohesion in Aluminum Alloys: Ab Initio Study", Advanced Materials Research, Vol. 409, pp. 417-422, 2012