We present a 5-phase equation of state for elemental carbon which addresses a wide range of density and temperature conditions: 3g/cc 100000K (both for ρ between 3 and 12 g/cc, with select higher-ρ DFT calculations as well). The liquid free energy model includes an atom-in-jellium approach to account for the effects of ionization due to temperature and pressure in the plasma state, and an ion-thermal model which includes the approach to the ideal gas limit. The precise manner in which the ideal gas limit is reached is greatly constrained by both the highest-temperature DFT data and the path integral data, forcing us to discard an ion-thermal model we had used previously in favor of a new one. Predictions are made for the principal Hugoniot and the room-temperature isotherm, and comparisons are made to recent experimental results. © 2014 American Physical Society.
CITATION STYLE
Benedict, L. X., Driver, K. P., Hamel, S., Militzer, B., Qi, T., Correa, A. A., … Schwegler, E. (2014). Multiphase equation of state for carbon addressing high pressures and temperatures. Physical Review B - Condensed Matter and Materials Physics, 89(22). https://doi.org/10.1103/PhysRevB.89.224109
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