Effect of P impurity on NiAlΣ5 grain boundary from first-principles study
Hu Xue-Lan1, †, Zhao Ruo-Xi1, Luo Yang1, Song Qing-Gong2
       

(color online) Variations of P concentration with segregation energy in the NiAl GB at different bulk P concentrations and different temperatures, obtained according to the McLean equation.