Molecular Dynamics approach to volume and surface molecular reactivity in Ar/CH4 plasmas
Résumé
Reactive Molecular Dynamics (MD) is used to investigate the reactivity in volume and at surfaces of a low-pressure Ar/CH4 plasma. The initial plasma composition is determined using a 1D plasma model of a radio-frequency discharge. MD simulates the evolution of this composition showing the formation of new molecules in the homogeneous phase, and the molecular interactions with an exposed surface (sticking of plasma species and film growth). Simulations are performed for different temperatures, i.e., 300, 400, 500 and 1000 K.
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