MOLECULAR-DYNAMICS MODELING OF SHOCK-COMPRESSED LIQUID-HYDROGEN

We have developed a tight-binding model of hydrogen with a single s or bital on each atom that reproduces properties of the dimer, of various crystalline structures, and of the fluid. Molecular-dynamics simulati ons, performed in the density and temperature regime of recent experim ents on shock-compressed liquid hydrogen, give pressures and electrica l conductivities in general agreement with the measured values. We als o demonstrate a close connection between the conductivity and dissocia tion of the molecules in the fluid.