Feasibility study of symmetric solution of molecular argon flow inside microscale nozzles

• Published in: Applied mathematics and mechanics Vol. 39; no. 4; pp. 489 - 500
• Main Authors: Karimian, S. M. H., Amani, A., Seyednia, M.
• Format: Journal Article
• Language: English
• Published: Shanghai Shanghai University 01.04.2018; Springer Nature B.V; Department of Aerospace Engineering, Amirkabir University of Technology,Tehran IR 15875-4413, Iran%Faculty of New Sciences and Technologies, University of Tehran,Tehran IR 14395-1561, Iran
• Edition: English ed.
• Subjects: Applications of Mathematics; Boundary conditions; Classical Mechanics; Computational efficiency; Computer simulation; Ducts; Feasibility studies; Fluid- and Aerodynamics; Mathematical Modeling and Industrial Mathematics; Mathematics; Mathematics and Statistics; Molecular dynamics; Nozzles; Numerical methods; Partial Differential Equations; Robustness (mathematics); Run time (computers); Simulation; Symmetry; 92E10; O363.2; molecular dynamics (MD); computational cost; symmetric boundary condition; 74A25; 74N15; nozzle argon flow
• ISSN: 0253-4827; 1573-2754
• DOI: 10.1007/s10483-018-2317-8

The computational cost of numerical methods in microscopic-scales such as molecular dynamics (MD) is a deterrent factor that limits simulations with a large number of particles. Hence, it is desirable to decrease the computational cost and run time of simulations, especially for problems with a symmetrical domain. However, in microscopic-scales, implementation of symmetric boundary conditions is not straight-forward. Previously, the present authors have successfully used a symmetry boundary condition to solve molecular flows in constant-area channels. The results obtained with this approach agree well with the benchmark cases. Therefore, it has provided us with a sound ground to further explore feasibility of applying symmetric solutions of micro-fluid flows in other geometries such as variable-area ducts. Molecular flows are solved for the whole domain with and without the symmetric boundary condition. Good agreement has been reached between the results of the symmetric solution and the whole domain solution. To investigate robustness of the proposed method, simulations are conducted for different values of affecting parameters including an external force, a flow density, and a domain length. The results indicate that the symmetric solution is also applicable to variable-area ducts such as micro-nozzles.