Molecular Dynamics Simulation of Thin Films Grown by Physical Vapor Deposition

We computationally investigate the effect of film growth parameters on the deposition of thin films by Molecular Dynamics (MD). Our team utilizes Large-scale Atomic/Molecular Massively Parallel Simulator software, where we simulate the vapor deposition of dielectric and conductive materials on the surface of a silicon substrate. By computing the gradient of the potential energy using a classical force field, we can monitor the formation of film and validate the accuracy of the deposition process. In the case of metallic and dielectric materials, we can compare the simulated physical properties to the experimental data of surface morphology. This work improves our understanding of the interatomic interactions, such as lattice formation of the target atoms, to adjust deposition parameters and achieve desired mechanical properties. Further analysis of the correlation between simulations and experimentally grown films will allow for better application in layered microelectromechanical systems (MEMS).