Computer Simulation of the Interaction of Metal Nanoparticles with a Substrate

4 Jul 2023, 15:30
15m
Room 403

Room 403

Distributed Computing and HPC Applications Distributed Computing and HPC Applications

Speaker

Sergey Polyakov (Keldysh Institute of Applied Mathematics)

Description

One of the modern technologies for obtaining new materials and coatings is the deposition of nanoparticles on a substrate. This process is relevant for many industries and the social sphere. Constantly increasing requirements for the quality and nomenclature of this type of product lead to the need for detailed theoretical and experimental studies of the spraying process in various conditions. One of the methods of such research is computer and supercomputer modeling. In this paper, a comprehensive the methodology of such modeling, covering all stages of the computational experiment. The basis of the technique is a direct atomic-molecular modeling of the deposition process on a microscopic scale. Parallel technologies are used for the computer implementation of the technique, which allow obtaining results with a given level of resolution and accuracy. In the upcoming report, various aspects of the developed modeling technology are discussed using the example of deposition of nickel nanoparticles on a substrate.
The work was carried out with the support of the Russian Science Foundation, project No. 21-71-20054.

Primary author

Sergey Polyakov (Keldysh Institute of Applied Mathematics)

Co-authors

Nikita Tarasov (KIAM RAS) Viktoriia Podryga (Keldysh Institute of Applied Mathematics)

Presentation materials