Effects of cobalt intergranular segregation on interface energetics in WC–Co Original Research Article

The interface energetics of WC(0 0 0 1)/WC(1 2̄ 1 0) grain boundaries and associated Co/WC interfaces are calculated using density-functional theory. The effect of intergranular segregated Co on the grain boundary cohesion is investigated. The results indicate that the amount of segregated Co is below one monolayer. The grain boundary is strengthened by the segregants, and the grain boundary resistance to Co infiltration is enhanced.