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Standardized Hemorrhagic Shock Induction Guided by Cerebral Oximetry and Extended Hemodynamic Monitoring in Pigs

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Published on: May 21, 2019

Ab initio study of shock compressed oxygen.

Cong Wang¹, Ping Zhang

¹LCP, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088, People's Republic of China.

The Journal of Chemical Physics

|April 29, 2010

Summary

Quantum molecular dynamic simulations reveal shock-compressed oxygen undergoes molecular dissociation and a nonmetal-to-metal transition at high pressures. These findings align with experimental data, offering insights into oxygen

Area of Science:

Condensed matter physics
Computational chemistry
Materials science

Background:

Understanding the behavior of matter under extreme conditions, such as shock compression, is crucial for various scientific and technological applications.
Oxygen, a fundamental element, exhibits complex phase transitions under pressure, necessitating advanced simulation techniques for accurate characterization.

Purpose of the Study:

To investigate the effects of shock compression on oxygen using quantum molecular dynamics simulations.
To determine the equation of state and analyze electronic and optical properties of shock-compressed oxygen.

Main Methods:

Quantum molecular dynamics (QMD) simulations were employed to model oxygen under shock compression.
The equation of state was calculated, and principal Hugoniot points were derived and compared with experimental data.

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Main Results:

Simulations accurately reproduced experimental Hugoniot data for shock-compressed oxygen.
Molecular dissociation was observed with increasing pressure.
Electron spin polarization was found to influence electronic structure at low pressures but was suppressed above 30 GPa.
A nonmetal-to-metal transition and changes in optical properties were identified.

Conclusions:

QMD simulations provide a reliable method for studying shock-compressed materials like oxygen.
The study elucidates the pressure-induced phase transitions, including molecular dissociation and metallization, in oxygen.
The findings contribute to a deeper understanding of the fundamental properties of dense oxygen.