To disclose the impacts of element diffusion on bond breakage of cemented carbide cutter, this paper establishes a rational microscale model of cemented carbide and 2.25Cr1Mo0.25V, in the light of the working conditions in the cutting process. Drawing on the molecular dynamics (MD) theory, the MD simulation was carried out to set up the deterioration layer model of cemented carbide cutter. Then, the author computed the bonding energy and interaction parameters between WC and other elements (e.g. Co, Fe, Cr, Mo and V). The results show that element diffusion will happen between cemented carbide and 2.25Cr1Mo0.25V in the temperature range of the bond failure; In the temperature range of the bond failure, the WC can form a stable alloy with proper concentrations of Co and other elements in the 2.25Cr1Mo0.25V; Fe is the leading influencing factor on the bonding ability of WC particles in the cemented carbide deterioration layer.