Study Of Non-Reactive Scattering From Graphene Using Molecular Beam Experiments And Molecular Dynamics

NA Mehta and DA Levin and VJ Murray and TK Minton, 30TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS (RGD 30), 1786, UNSP 100003 (2016).

DOI: 10.1063/1.4967614

Conventional gas surface interaction (GSI) models and molecular dynamics (MD) are used to generate the gas scattering angle and post-collision kinetic energy distribution, which is compared with the experimental values obtained from molecular beam scattering experiments. While conventional GSI models were unable to capture the experimental scattering distributions, MD simulations were able to generate reasonable agreement. MD simulations also allowed the trajectories to be classified into single, multiple collisions with escape, and multiple collisions without escape events.

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