Ab initio study of shock compressed oxygen

Abstract

Quantum molecular dynamic simulations are introduced to study the shock compressed oxygen. The principal Hugoniot points derived from the equation of state agree well with the available experimental data. With the increase of pressure, molecular dissociation is observed. Electron spin polarization determines the electronic structure of the system under low pressure, while it is suppressed around 30 $\sim$ 50 GPa. Particularly, nonmetal-metal transition is taken into account, which also occurs at about 30 $\sim$ 50 GPa. In addition, the optical properties of shock compressed oxygen are also discussed.

5 pages, 5 figures

References in corpus (4)

• Thermophysical properties of warm dense hydrogen
• Path Integral Monte Carlo and Density Functional Molecular Dynamics Simulations of Hot, Dense Helium
• Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium
• Comment on "Metallization of Fluid Nitrogen and the Mott Transition in Highly Compressed Low-Z Fluids"

Cited by in corpus (4)

• Clustering and phase behaviour of attractive active particles with hydrodynamics
• First-Principles Equation of State and Electronic Properties of Warm Dense Oxygen
• Thermophysical properties of liquid carbon dioxide under shock compressions: Quantum molecular dynamic simulations
• Quantum molecular dynamic simulations of warm dense carbon monoxide