Simulations of the optical properties of warm dense aluminum.
Using quantum molecular dynamics simulations, we show that the optical properties of aluminum change drastically along the nonmetal metal transition observed experimentally. As the density increases and the many-body effects become important, the optical response gradually evolves from the one characteristic of an atomic fluid to the one of a simple metal. We show that quantum molecular dynamics combined with the Kubo-Greenwood formulation naturally embodies the two limits and provides a powerful tool to calculate and benchmark the optical properties of various systems as they evolve into the warm dense matter regime.
Mazevet
S
S
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Desjarlais
M P
MP
Collins
L A
LA
Kress
J D
JD
Magee
N H
NH