Molecular dynamics simulation model of hydrogen recycling on carbon divertor for neutral transport analysis in large helical device.

To perform the neutral‐transport simulation with processes in which hydrogen molecules contribute to the reaction such as molecular assisted recombination, the parameters of emitted neutral particles at the wall such as the energy distributions and the form (atom or molecule) of emitted neutral particles are necessary as a boundary condition of the calculation. Therefore, in order to provide information of recycled hydrogen on the divertor to neutral‐transport code, molecular dynamics simulation of a hydrogen atom injection into a carbon material is performed to obtain the distributions of emission angle and translational energy of emitted hydrogen atoms and molecules. The distributions of rotational and vibrational energies are also investigated in the case of molecular hydrogen emission. Moreover, the quantum rotational state J, and vibrational state v are estimated from the classical value obtained by the simulation. [ABSTRACT FROM AUTHOR]