The idea work of adhesion

density of state（DOS）and Millken charge distribution of TiC（111）/Mg（0001）interfaces with alloying elements（Al

Zn

Cu）were investigated by the plane wave pseudopotential method based on the first-principle density functional theory（DFT）to understand the effects of doping alloy elements（Al

Zn

Cu）in Mg Matrix on the stability of TiC（111）/Mg（0001）interface.The results show that for the ideal TiC（111）/Mg（0001）interface

the C-terminated center-site interface is the most stable after geometric optimization.When adding alloy elements（Al

Zn

Cu）to different positions in Mg phase

the idea work of adhesion

partial density of states and Millken charge distribution of the interfacial atoms

are changed in different degree.When doped atoms are in the non-interfacial layer

adhesion work has slight change

which has slight effect on the stability of TiC（111）/Mg（0001）interface.And when the doped atoms are in the interface layer

adhesion work has significant change

where the doped Al atoms and Cu is beneficial to improving the wettability of TiC（111）/Mg（0001）interface

enhancing the stability of the interface

with the satisfied effect of Al atom.Moreover

doped Zn atoms mainly combine with other atoms through metallic bonds instead of interfacial covalent bonds

resulting in a decrease in the adhesion work of the interface

which is adverse to improving the interface wettability.