Molecular Dynamics Simulations of Translational Thermal Accommodation Coefficients for Time-Resolved LII

Time-resolved laser-induced incandescence demands precise knowledge of the thermal accommodation coefficient, but little is known about the gas-surface scattering physics underlying this parameter. This paper presents a molecular dynamics simulation that shows how the thermal accommodation coefficient is influenced by gas molecular mass and the gas temperature. The MD results also define scattering kernels that form boundary conditions in DSMC simulations of heat and momentum transfer between soot aggregates and surrounding gas molecules.