Driven　by　the　eagerness　of　investigation　of　the　interface　bonding　strength　between　inclusion　(HfO2)　and　matrix　(Ni)　in　DZ125　nickel-based　superalloy,　we　explored　the　adhesion　work,　interface　energy　and　electronic　bonding　characteristics　of　HfO2　(001)/Ni　(001)　by　first　principles.　Six　interface　models　with　different　terminations　(Hf-　and　O-terminated)　and　stacking　modes　(top-　and　center-)　were　established,　namely　Hf-top-1,　Hf-center-1,　Hf-top-2,　Hf-center-2,　O-top-1,　O-center-1.　The　results　show　that　Hf-center-2　is　the　most　stable　model　with　maximum　adhesion　work　(9.8　J/m2)　and　minimum　interfacial　energy　(-1.49~5.29　J/m2).　The　electronic　structure　analysis　indicates　that　the　relatively　stable　Hf-Ni　metal　bonds　at　the　interface　of　Hf-center-2　model　was　formed.　Finally,　the　potential　of　heterogeneous　nucleation　of　HfO2　on　the　Ni　matrix　are　proved　from　the　perspective　of　atomic　and　electronic.　©　2023　SPIE.