Multiscale Mathematical Modeling of the Metal Nanoparticles Motion in a Gas Flow

Abstract

The paper is devoted to modeling the motion of metal nanoparticles in a gas flow. Two different ways are proposed to solve the problem. The first way is based on the use of the molecular dynamics method, the second method is based on the use of the multiscale approach combining the quasigasdynamic equations system and the molecular dynamics method. A cluster of nickel atoms is considered as a metallic nanoparticle, a flow of nitrogen molecules is considered as a gas flow. In numerical experiments, the conditions for matching the applied mathematical models and the behavior of the nanoparticle are determined.