Modeling of the Gas Dynamic Processes During the Ddeposition of Nanolayers on the Surface of Submicrometer Channels of Porous Solids

Abstract

Numerical investigation of the gas dynamic processes that occur during film deposition by means of CVD on the surface of the submicron channels of cylindrical shape was carried out. For this purpose, a combination of Monte-Carlo procedure and molecular dynamics was applied. Molecules were simulated with solid spheres with a given gas kinetic diameter. The interaction between molecules was described using Lennard-Jones potential, while the interaction between the molecules and the walls was described with the repulsive branch of Lennard-Jones potential. Adsorption and energy exchange with the surface of channels were described with the help of Monte-Carlo procedure. A hit of a molecule into a channel through the inlet section was described with Monte-Carlo procedure, too. This allowed us to investigate the effect of pressure and temperature of the gas phase, and surface temperature, as well as the effect of the geometric parameters of the inlet sections on the distribution of the thickness of the formed film along the channel axis.