Abstract: Damping coating damping is one of the most effective methods to solve the aero engine blade fracture problem. Therefore, simulating the microstructure of the inorganic nano-coating accurately and revealing the effect of the defect area on the damping characteristics of the coating, which is of great significance to the operational reliability of the aero-engine. The molecular dynamics method was used to calculate the stress and strain values of the Ti₃Al coating when it was stretched in the x-direction.The stress-strain curve of the Ti₃Al coating was obtained. The toughness modulus of the Ti₃Al coating with different defect rates by stress-strain curve and contrasting the modulus of toughness was calculated. The results show that Ti₃Al coating with a defect rate of 0.3% has the best damping performance. The microstructure of the Ti₃Al coating with a defect rate of 0.3% was simulated and analyzed. The results show that the model defect evolves from a vacancy to a dislocation defect during stretching process.