Comparison of two approaches in molecular dynamics simulation of gas-surface interaction Available to Purchase

The interaction between gas molecules and a solid surface plays a vital role in precisely measuring the aero-heating on the surface of a near-space hypersonic vehicle. The statistical models which commonly describe the gas-surface interaction properties are highly dependent on the accuracy of parameters named accommodation coefficients. In this study, two approaches are applied to perform molecular dynamics simulations of argon molecules scattering on a graphite surface. The effects of the gas rarefaction degree and the gas-surface interaction strength on the accommodation coefficients have been studied and the results derived from the two approaches have been compared and analyzed. This study can clarify some doubts about the selection of accommodation coefficients in engineering practice.