This atomistic modeling study is companion to new experimental work on carbon vapor slow-cooled in (a) the laboratory and (b) the atmosphere of ancient carbon-synthesizing stars. It specifically follows up on TEM clues about the nucleation of unlayered graphene sheets in a solidifying carbon liquid, to show that 5 atom loops may help explain evidence for faceted pentacones in a slow-cooled melt. This is also first in a series of modeling studies that may open the door to laboratory studies of (i) condensation in cool-giant star atmospheres and (ii) liquid carbon at low pressures.
Silva, Chathuri; Chrostoski, Philip; and Fraundorf, Phil, "DFT study of “unlayered graphene solid” formation, in liquid carbon droplets at low pressures" (2021). Physics Faculty Works. 33.
Available at: https://irl.umsl.edu/physics-faculty/33