Abstract
We demonstrate the chemical interaction of hydrogen atoms with single-crystal diamond by performing classical molecular dynamics (CMD) simulations based on the modified Brenner reactive empirical bond order (REBO) potential. Erosion of the diamond structure is shown not to occur for hydrogen injection energies Ein < 5 eV, which is consistent with Yada's experimental results. We also clarify that the increase in the temperature of diamond depends on the surface of diamond. This finding is similar to our previous simulation results that chemical sputtering of graphite depends on the surface of graphite. In addition, we obtain the time dependence of the temperature of diamond Tdia, which is saturated.