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P: Fachverband Plasmaphysik

P 5: Dichte Plasmen

P 5.1: Fachvortrag

Montag, 19. März 2007, 14:35–15:00, 6C

Quantum Molecular Dynamics Simulations for Warm Dense Matter — •Andre Kietzmann, Ronald Redmer, and Bastian Holst — Universität Rostock, Institut für Physik

We have performed ab initio QMD simulations for several chemical elements in the warm dense matter region in order to calculate structural, thermodynamic, and electronic properties. First we computed the structure of expanded fluid alkali metals Rb and Cs which have been studied intensively both experimentally and theoretically. The most interesting feature is the occurrence of a metal-to-nonmetal transition in the density-temperature region near the critical point. Furthermore, we have performed QMD simulations for dense He which is of great relevance for astrophysical applications. We calculated the EOS up to several megabar, the Hugoniot curve, and the static conductivity to locate the nonmetal-to-metal transition. The results are compared with available data from shock-wave experiments. In addition we will present first results for shock compressed O and Li. The QMD calculations were performed on the highly parallelized compute server at the "Norddeutscher Verbund für Hoch- und Höchstleistungsrechnen". This project is supported by the SFB 652 "Strong correlations and collective effects in radiation fields".