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Diamond possesses exceptional physical properties due to its remarkablystrong carbon-carbon bonding, leading to significant resilience to structuraltransformations at very high pressures and temperatures. Despite severalexperimental attempts, synthesis and recovery of the theoretically predictedpost-diamond BC8 phase remains elusive. Through quantum accurate, multi-millionatom molecular dynamics (MD) simulations, we have uncovered the extrememetastability of diamond at very high pressures, significantly exceeding itsrange of thermodynamic stability. We predict the post-diamond BC8 phase to beexperimentally accessible only within a narrow high pressure-temperature regionof the carbon phase diagram. The diamond to BC8 transformation proceeds throughpre-melting followed by BC8 nucleation and growth in the metastable carbonliquid. We propose a double-shock compression pathway to achieve BC8 synthesis,which is currently being explored in theory-inspired experiments at theNational Ignition Facility.

Extreme Metastability of Diamond and its Transformation to BC8 Post-Diamond Phase of Carbon