Transport properties of LiF under strong compression: modeling using advanced electronic structure methods and classical molecular dynamics

Window materials are ubiquitous in shock physics and with high energy density drivers capable of reaching multi-Mbar pressures the use of LiF is increasing. Velocimetry and temperature measurements of a sample through a window are both influenced by the assumed index of refraction and thermal conductivity, respectively. We report on calculations of index of refraction using the many-body theory GW and thermal ionic conductivity using linear response theory and model potentials. The results are expected to increase the accuracy of a broad range of high-pressure shock- and ramp compression experiments. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.