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Nature of the bonded-to-atomic transition in liquid silica to TPa pressures

  • Shuai Zhang
  • , Miguel A. Morales
  • , Raymond Jeanloz
  • , Marius Millot
  • , S. X. Hu
  • , Eva Zurek
  • University of Rochester
  • Simons Foundation
  • Lawrence Livermore National Laboratory
  • University of California at Berkeley

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

First-principles calculations and analysis of the thermodynamic, structural, and electronic properties of liquid SiO 2 characterize the bonded-to-atomic transition at 0.1-1.6 TPa and 10 4- 10 5 K (1-9 eV), the high-energy-density regime relevant to understanding planetary interiors. We find strong ionic bonds that become short-lived due to high kinetics during the transition, with sensitivity of the transition temperature to pressure, and our calculated Hugoniots agree with past experimental data. These results reconcile previous experimental and theoretical findings by clarifying the nature of the bond dissociation process in early Earth and "rocky"(oxide) constituents of large planets.

Original languageEnglish
Article number071101
JournalJournal of Applied Physics
Volume131
Issue number7
DOIs
StatePublished - Feb 21 2022

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