We 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 distinct cohesive energies. Differences in cohesive energy are traced back to slight changes in the distribution of bond-angles that will likely affect thermal stability of these structures.
@article{arxiv.1907.05032,
title = {Structural and elastic properties of amorphous carbon from simulated quenching at low rates},
author = {Richard Jana and Daniele Savio and Volker L. Deringer and Lars Pastewka},
journal= {arXiv preprint arXiv:1907.05032},
year = {2020}
}