Effect of Ionic Disorder on the Principal Shock Hugoniot

Abstract

The effect of ionic disorder on the principal Hugoniot is investigated using Multiple Scattering Theory to very high pressure (Gbar). Calculations using molecular dynamics to simulate ionic disorder, are compared to those with a fixed crystal lattice, for both carbon and aluminum. For the range of conditions considered here, we find that ionic disorder is most important at the onset of shell ionization and that at higher pressures, the subtle effect of the ionic environment is overwhelmed by the larger number of ionized electrons with higher thermal energies.

References in corpus (11)

• Rare White dwarf stars with carbon atmospheres
• All-Electron Path Integral Monte Carlo Simulations of Warm Dense Matter: Application to Water and Carbon Plasmas
• First-Principles Equation of State Database for Warm Dense Matter Computation
• Extended First-Principles Molecular Dynamics Method From Cold Materials to Hot Dense Plasmas
• Finite-temperature orbital-free DFT molecular dynamics: coupling Profess and Quantum Espresso
• Fast and Universal Kohn Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma
• Pseudoatom molecular dynamics
• An integral equation model for warm and hot dense mixtures
• Requirements for very high temperature Kohn-Sham density functional simulations and how to bypass them
• Multiple Scattering Theory for Dense Plasmas
• Real-Space Green's functions for Warm Dense Matter