Amorphous Carbon and Related Materials

摘要: Amorphous carbons have attracted enormous experimental, theoretical and computational interest over the past two decades. This chapter explains how computer simulation has contributed to understanding of these important materials. The principle themes are (i) necessity accurate interaction potentials, (ii) ability discern between competing models, (iii) need quantify timescales when comparing experiment simulation. Common methodologies such as liquid quenching thin-film deposition explained, major successes in reproducing experimental behaviour discussed. Connections also established amorphous related materials glassy carbon hydrogenated carbon. Finally, unsolved problems opportunities for future research identified.