Ab initio simulation of planar shock waves. (3rd June 2017)

• Record Type: Journal Article
• Authors: Sharipov, Felix; Dias, Fernanda C.
• Is Part Of: Computers & fluids. Volume 150(2017)
• Page Start: 115
• Page End: 122
• Publication Date: 2017-06-03
• Subjects: Direct simulation Monte Carlo -- Shock wave -- Ab initio potential; Fluid dynamics -- Data processing -- Periodicals; 532.050285
• DOI: 10.1016/j.compfluid.2017.04.002
• Languages: English
• ISSNs: 0045-7930

Abstract

Highlights: Plane shock waves of various gases were modeled on the basis of ab initio potential. Slopes of density and temperature were calculated in a wide range of Mach number. A significant influence of the potential on the shock wave structure was detected. Simulations are compared against other theoretical and experimental works. Abstract: The structure of planar shock wave is calculated for helium, neon and argon, applying the direct simulation Monte Carlo method based on ab initio potentials in the range of the Mach number varying from 1.5 to 10. To characterize the density and temperature variations along the shock wave, the dimensionless slopes of these quantities, defined through their maximum derivative with respect to the spatial coordinate, are calculated. The parameters of the numerical scheme were chosen to provide numerical error of the slopes less than 0.5%. The slopes for helium, neon and argon are qualitatively the same, but they are quantitatively different from each other. The largest difference is observed for the high value of Mach number and reaches 20% that means that the shock wave structure is strongly sensitive to the intermolecular potential. The obtained results can be used as benchmark data to test new mathematical models and new numerical methods in rarefied gas dynamics.