4.8 Article

Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen

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Summary: The properties and phase transition of dense hot hydrogen, particularly in the transition from molecular insulating to atomic conductive states, are of significance in astrophysics and high-pressure physics. The metallization and dissociation in liquid hydrogen have been suggested to be a first-order phase transition, with a critical point in the temperature range of 1500-2000 K and pressure close to 100 GPa. Results from density functional theoretical molecular dynamics simulations indicate a drop in pressure and structural change as hydrogen transitions from diatomic to monoatomic phase above 2000 K, supporting a first-order phase transition in liquid hydrogen ending at around 4500 K.

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