Molecular Dynamics Analysis of Multi-Factor Influences on Structural Defects in Deposited Mg-Matrix Zn Atom Films

Mg metal vascular stents not only have good mechanical support properties but also can be entirely absorbed by the human body as a trace element beneficial to the human body, but because Mg metal is quickly dissolved and absorbed in the human body, magnesium metal alone cannot be ideally used as a vascular stent. Since the dense oxide Zn film formed by Zn contact with oxygen in the air has good anti-corrosion performance, the Zn nanolayer film deposited on the Mg matrix vascular scaffold by magnetron sputtering can effectively inhibit the rapid dissolution of Mg metal. However, there are few studies on the molecular dynamic structural defects of Mg-matrix Zn atomic magnetron sputtering, and the atomic level simulation of Mg-matrix Zn thin-film depositions can comprehensively understand the atomic level structural defects in the deposition process of Zn thin films from a theoretical perspective to further guide experimental research. Based on this, this research first studied and analyzed the atomic layer structure defects, surface morphology, surface roughness, atomic density of different deposited layers, radial distribution function, and residual stress of the thin-film deposition layer of 1500 deposited Zn atoms at the initial deposition stage, during and after deposition under Mg-matrix thermal layer 500K and a deposited velocity 5 Å/ps by molecular dynamics. At the same time, the effects of temperature and deposited velocity of the Mg-matrix thermal layer on the surface morphology, roughness, and biaxial stress of the deposited films were studied.