Molecular dynamics simulation of the formation of sp3 hybridized bonds in hydrogenated diamondlike carbon deposition processes.

摘要: The formation process of $s{p}^{3}$ hybridized carbon networks (i.e., diamondlike structures) in hydrogenated (DLC) films has been studied with the use molecular-dynamics simulations. processes simulated this study are injections hydrocarbon (${\text{CH}}_{3}$ and CH) beams into amorphous (a-C) substrates. It shown that structures formed predominantly at a subsurface level when beam energy is relatively high, as ``subplantation'' for hydrogen-free DLC deposition. However, deposition, presence abundant hydrogen levels, together thermal spikes caused by energetic ion injections, substantially enhances carbon-to-carbon bonds. Therefore, bond essentially differs from films.