Characterisation of dynamic properties of coating-substrate system by molecular dynamics simulation
by J. Li, H. Gao, L. Qu, R. Rentsch
International Journal of Computer Applications in Technology (IJCAT), Vol. 29, No. 2/3/4, 2007

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

Online publication date: Sun, 30-Sep-2007

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