Liquid carbon: structure near the freezing line

Luca M Ghiringhelli, Jan H Los, Evert Jan Meijer, A Fasolino, Daan Frenkel
2005 Journal of Physics: Condensed Matter  
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 liquidliquid phase transition when, at 10 500 K and ∼300 GPa, the local structure of the liquid along the
more » ... liquid along the melting line changes dominant coordination from three-to fourfold.
doi:10.1088/0953-8984/17/45/056 fatcat:7pbur7zbpfae7i4baggjthpesq