Professor Justin Wark

Abstract:

We present calculations of the free-free opacity of warm, solid-density aluminum at photon energies between the plasma frequency at 15 eV and the L-edge at 73 eV, using both density functional theory combined with molecular dynamics and a semi-analytical model in the RPA framework which includes exciton contributions. As both the ion and electron temperature is increased from room temperature to 10 eV, we see a marked increase in the opacity. The effect is less pronounced if only the electron temperature is allowed to increase, while the lattice remains at room temperature. The physical significance of these increases is discussed in terms of intense light-matter interactions on both femtosecond and picosecond time scales. © 2009 Elsevier B.V. All rights reserved.

Abstract:

Simulated EXAFS signals from ab initio models and configurational averaging of molecular dynamics (MD) data are compared for α-Fe, and configurationally averaged MD EXAFS signals are compared with experimental data for iron shock compressed to pressures above the α-ε{lunate} transition pressure. It is shown that molecular dynamics potentials and ab initio models capable of recreating similar vibrational density of states lead to EXAFS signals in good mutual agreement. The effects of the classical nature of the phonon distribution in the MD and the anharmonicity of the potential give rise to noticeable differences between ab initio models and configurational averaging of MD data. However, the greatest influence on the spectra is the form of the potential itself. We discuss the importance of these effects in simulating EXAFS spectra for shock compressed polycrystalline iron. It is shown that EXAFS is an insensitive probe for determining the nature of the close packed product phase in this system. © 2009 Elsevier B.V.