Bond-coordination lattice model for phase transformations in carbon

A lattice model for phase transformations in pure carbon is proposed. Monte Carlo simulation is performed. The simulation results show that the proposed model produces phase transformations similar to phase transformations graphite–liquid, diamond–liquid, graphite–diamond and liquid–liquid.

► The molecular dynamics simulation with Tersoff potential was performed.
► The energy of σ bond between pairs of atoms in liquid carbon was studied.
► The simple model for the interaction energy of carbon atoms is proposed.