Chen Lü, Liu Yizhong, Ren Yanxiu. Theoretical Analysis on the Effect of W on the Phase Boundary Strength of Co-Al-W Alloy[J]. Special Casting & Nonferrous Alloys, 2021,41(10):1209-1214.
Chen Lü, Liu Yizhong, Ren Yanxiu. Theoretical Analysis on the Effect of W on the Phase Boundary Strength of Co-Al-W Alloy[J]. Special Casting & Nonferrous Alloys, 2021,41(10):1209-1214. DOI: 10.15980/j.tzzz.2021.10.005.
The energetics and electronic structures of W doped γ-Co/γ′-Co
3
Al interface region model were calculated by the first principles method based on plane-wave pseudopotential theory. The results demonstrate that the substitution of W atom for Al atom sited in γ-Co/γ′-Co
3
Al interfaces can improve the rupture strength of the γ-Co/γ′-Co
3
Al interface. However
the substitution of W atom for Al or Co atom in other place has little effect on the rupture strength of the phase boundary region. The analysis of electron densities of states(DOS) and the distributions of valence electron densities of γ-Co/γ′-Co
3
Al interface indicate that the doping of W leads to the strong electron interaction between W and its nearest neighbor Co atoms
resulting in the enhancement of the interlayer atomic bonding interaction in the phase boundary region
which is the direct reason for the enhancement of the rupture strength of γ-Co/γ′-Co