Two-Scale Modeling of Supersonic Cold Gas Dynamic Spraying of Nanoparticles on Substrate

The work is devoted to modeling the processes of spraying the nanoparticles transported by supersonic cold gas flow on substrates. This problem is relevant for the implementation of many nanotechnologies, for example, for the production of ultra-high resolution video systems, nanolithography technologies, etc. Experimental work in this area is based on theoretical analysis and mathematical modeling methods. Both the spraying process itself and the possibilities of controlling the quality of the resulting surface are studied. For this, a multiscale approach is often used combining models of continuum mechanics and particle models. Such combination makes it possible to describe the macroscopic properties of the gas flow carrying nanoparticles and its interaction with the substrate at the level of individual atoms and molecules. In this work, two scale levels are used. The macroscopic model is based on the equations of quasigasdynamics, the microscopic model is based on the equations of molecular dynamics. These two descriptions are used both separately and together. To analyze the full cycle of the spraying process, an original set of algorithms for pairing these models is proposed. The approach was tested on the example of spraying the nickel nanoclusters on a substrate of the same material and showed its efficiency.