Quantum molecular-dynamics study of the electrical and optical properties of shocked liquid nitrogen
Abstract
Using quantum molecular-dynamics simulations, we show that the electrical and optical properties of shocked liquid nitrogen change drastically as the density increases along the principal and second-shock Hugoniots. Initially, a nonmetal molecular fluid at normal conditions, we find that nitrogen becomes a metal for pressures of 60 GPa and higher. This nonmetal-metal transition for fluid nitrogen can be directly associated to the continuous dissociation occurring along the Hugoniots, and is analogous to the high-pressure nonmetal-metal transition observed experimentally for two other homonuclear diatomic fluids, hydrogen and oxygen.
- Publication:
-
Physical Review B
- Pub Date:
- February 2003
- DOI:
- 10.1103/PhysRevB.67.054201
- Bibcode:
- 2003PhRvB..67e4201M
- Keywords:
-
- 71.15.Pd;
- 62.50.+p;
- 61.20.Ja;
- Molecular dynamics calculations and other numerical simulations;
- High-pressure and shock wave effects in solids and liquids;
- Computer simulation of liquid structure