Development of palladium nanoparticles deposition on a copper substrate using a molecular dynamic (MD) simulation: a cold gas dynamic spray process

Abstract

The objective of this study is to create an ultra-thin palladium foil with a molecular dynamic (MD) simulation technique on a copper substrate surface. The layer formed onto the surface consists of a singular 3D palladium (Pd) nanoparticle structure which, by the cold gas dynamic spray (CGDS) technique, is especially incorporated into the low-cost copper substrate. Pd and Cu have been chosen for their possible hydrogen separation technology applications. The nanoparticles were deposited to the substrate surface with an initial velocity ranging from 500 to 1500 m/s. The particle radius was 1 to 4 nm and an angle of impact of 90° at room temperature of 300 K, in order to evaluate changes in the conduct of deformation caused by effects of size. The deformation mechanisms study revealed that the particle and substrate interface is subject to the interfacial jet formation and adiabatic softening resulting in a uniform layering. However, shear instabilities at high impact speeds were confirmed by the evolution of von Mises shear strain, temperature evolution and plastic strain. The results of this study can be used to further our existing knowledge in the complex spraying processes of cold gas dynamic spray technology.