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Supercomputer Calculation of Gas Flow in Metal Microchannel Using Multiscale QGD-MD Approach

Authors:
Viktoriia Podryga
Sergey Polyakov

Keywords: multiscale mathematical models; parallel algorithms; multiscale computing; gas dynamics

Abstract:
An important factor in modern development are promising nanotechnologies. One of the most popular areas of research in this field is modeling the nonlinear gas-dynamic processes in micro- and nanochannels. This problem is relevant for many applications on introducing and using the nanotechnology in various industries. A feature of mathematical problems in this area is the simultaneous study of processes at many scales, including micro- and nanoscales. In this paper, technology of the supercomputer realization of multiscale two-level approach to modeling the gas flow in microchannel is presented. The approach is based on combining the models of continuum mechanics and the Newton's dynamics for single particles. Two scale levels are considered: macroscopic and microscopic. The quasigasdynamic equations system is used as a mathematical model at the macrolevel. The molecular dynamics method is used as a mathematical model at microlevel. Numerical implementation of approach is based on the method of splitting into physical processes. The quasigasdynamic equations are solved by finite volume method on grids of different types. The Newton's equations of motion are solved by Verlet integration in each cell of grid independently or in groups of connected cells. Within the framework of common methodology, the four classes of algorithms and methods of their parallelization are offered. Parallelization technology is based on the principles of geometric parallelism and efficient partitioning the computational domain. Special dynamic algorithm is used for load balancing the computational units. The approach testing was made by the example of the nitrogen flow in the nickel microchannel. Obtained results confirmed the high efficiency of the developed methodology.

Pages: 132 to 137

Copyright: Copyright (c) IARIA, 2018

Publication date: October 14, 2018

Published in: conference

ISSN: 2308-4235

ISBN: 978-1-61208-668-2

Location: Nice, France

Dates: from October 14, 2018 to October 18, 2018