Liquid carbon: structure near the freezing line
J. Phys.: Condens. Matter 17 S3619-S3624
Luca M Ghiringhelli, Jan H Los, Evert Jan Meijer, A Fasolino1, and Daan Frenkel

Abstract.
We present a detailed analysis of the structure of liquid carbon near the freezing line. The results are obtained by molecular simulation using a recently developed state-of-the-art bond order potential. We find that along the melting line the liquid is predominantly threefold coordinated up to pressures far beyond the liquid–graphite–diamond triple point. We find no sign of a first-order liquid–liquid phase transition when, at 10 500 K and ~300 GPa, the local structure of the liquid along the melting line changes dominant coordination from three- to fourfold.