Supercomputer simulations transform coal-like material to amorphous graphite and nanotubes

Nanowerk  January 6, 2023 To explore how coal can be converted into valuable materials like graphite researchers at Ohio University simulated the substances in computer software. They created a simplified “coal” that consisted of only carbon atoms in random position and exposed them to pressure and high temperature — about 3,000 Kelvin. They formed sheets, but the carbon atoms didn’t entirely develop simple, six-carbon rings. A fraction of the rings had five carbons; others had seven. While six-carbon rings were flat, five- and seven-membered carbon rings puckered. The conditions in these simulations caused the sheets to curve in on themselves […]