Effect of P impurity on mechanical properties of NiAl Σ5 grain boundary: From perspectives of stress and energy

Hu Xue-Lan^{1, †}, Zhao Ruo-Xi¹, Deng Jiang-Ge¹, Hu Yan-Min¹, Song Qing-Gong²

(color online) Plots of system strain energy versus strain for NiAl and P–NiAl GB, obtained by FPCTT. The zero of strain energy is set to be the minimum energy of the system.