Molecular dynamics simulation of chemical sputtering of hydrogen atom on layer structured graphite

In the experiment of plasma confinement, a portion of hydrogen plasma flows into divertor walls, which are shielded by the tiles of polycrystalline graphite. Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was kept by interlayer intermolecular interaction. In the incidence of hydrogen atoms perpendicular to graphenes, the graphite intercalation of the hydrogen atoms appeared. As the hydrogen atoms increased, the graphenes were peeled off one by one and yielded molecules had chain structures. When the hydrogen atoms were injected into the armchair and zigzag edges of graphite parallel to the graphenes, many C2Hx and H2 molecules were generated, respectively. (author)