Characterization of Dynamic Properties of Coating-Substrate System by Molecular Dynamics Simulation

摘要

In this work, an MD (Molecular Dynamics) model of the layer-substrate system was generated, with Ni as the coating, and Cu the substrate materials. This model allows study of the dynamics behaviours in the layer-substrate system. An impact simulation was designed and carried out on the obtained model. Stress, impact force developing and simultaneous crystal defects propagation (dislocations and cracks) were studied. The results verified the correlation between the high level stress state and crystal defects developing, and cumulative feature of the failure of coating-substrate systems. The influence of intrinsic dynamical properties of the layer-substrate on its performance under impact was evidenced from the high frequency composition observed in the impact force spectrum.