Carbon crystallization under extreme conditions

Understanding the behavior of liquid carbon under extreme conditions is crucial for modeling the interiors of carbon-rich exoplanets and inertial confinement fusion (ICF) implosions. We combine quantum-accurate molecular dynamics (MD) simulations with classical nucleation theory (CNT) to develop a kinetics model of carbon crystallization across a broad range of pressures and temperatures. To validate the fundamental assumptions of CNT, we extend extremely large MD simulations to match the time and length scale of CNT. Our findings have important implications for carbon refreezing in ICF experiments and the design of novel pathways towards high-pressure post-diamond solid phases.