Investigation of gas-dynamic processes in a boundary layer on a basis of molecular dynamics simulation

Abstract

The work is devoted to numerical simulation of the nonlinear gas dynamic processes in technical systems of micron sizes. This problem is relevant for many applications related to the implementation and the use of nanotechnology in various industries. As an example, a gas flow in micro channel with metal walls is considered. Within this problem, we are interested in a calculation of the boundary layer parameters from first principles. The numerical analyses are carried out according to the Newton's equations of classical dynamics. The model under consideration takes into account the molecular composition of the gas, the atomic structure of the metal surfaces, and heat exchange of the gas with the metal. Computer implementation is focused on using high-performance systems with hybrid architecture. The calculations are performed on the example of a nitrogen flow into a nickel micro channel for several micro channel lengths. The flow velocity varied over a wide range. It is considered in the subsonic, transonic, and supersonic ranges. In numerical experiments, macro parameters of gas flow in the boundary layer are obtained and the corresponding near-wall model is formed. It can be used for the calculation of flows in micro channels using continuum mechanics methods.