COMPUTATIONAL MODELING OF GAS-SURFACE INTERACTION

In this study, a new computational modeling of the gas-surface interac tion is proposed to explain the results of the scattering experiments of molecular beams from solid surfaces, especially from industrial sur faces. The characteristic feature of the model is to settle the adsorb ed gas layer and the collision layer which involve adsorbed molecules and surface molecules, respectively. Incident molecules experience for ce due to the gas-solid potential gradient, changing their trajectorie s which is computed by Molecular Dynamics method. The gas molecules ar e scattered from the surfaces after collisions with adsorbed or surfac e molecules. The simulated results are compared with the experimental ones: i.e., flux distributions, TOF spectra and the average energy of scattered molecules.