Title: Characterisation of dynamic properties of coating-substrate system by molecular dynamics simulation

Authors: J. Li, H. Gao, L. Qu, R. Rentsch

Addresses: Swinburne University of Technology, Hawthorn, Australia. ' Dalian University of Technology, Dalian, China. ' Shenyang Institute of Aeronautical Engineering, Shenyang, China. ' LFM, Bremen University, Germany

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.

Keywords: coating-substrate systems; dynamic properties; impact testing; molecular dynamics; simulation; stress; impact force; crystal defects; defect propagation; dislocations; cracks.

DOI: 10.1504/IJCAT.2007.015244

International Journal of Computer Applications in Technology, 2007 Vol.29 No.2/3/4, pp.108 - 113

Published online: 30 Sep 2007 *

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