Jana, R.R.JanaSavio, D.D.SavioDeringer, V.L.V.L.DeringerPastewka, L.L.Pastewka2022-03-062022-03-062019https://publica.fraunhofer.de/handle/publica/25981210.1088/1361-651X/ab45daWe generate representative structural models of amorphous carbon (a-C) from constant-volume quenching from the liquid with subsequent relaxation of internal stresses in molecular dynamics simulations using empirical and machine-learning interatomic potentials. By varying volume and quench rate we generate structures with a range of density and amorphous morphologies. We find that all a-C samples show a universal relationship between hybridization, bulk modulus and density despite having distinctly different cohesive energies. Differences in cohesive energy are traced back to slight changes in the distribution of bond-angles that is likely linked to thermal stability of these structures.enamorphous carbonelastic propertyliquid quenchmolecular dynamics simulation620530journal article