Abstract
We give an introduction into the method of quantum molecular dynamics simulations which combines density functional theory with classical molecular dynamics. This method has demonstrated its predictive power in determining the thermophysical properties of matter under extreme conditions as found, e.g., in astrophysical objects like giant planets and brown dwarfs. Such extreme states of matter can also be probed by state-of-the-art shock wave experiments in the laboratory. We give exemplary ab initio results for the behavior of the simplest and most abundant elements hydrogen and helium under extreme conditions. In addition, we also show results for more complex molecular systems such as water. The light elements H and He, the hydrides of C (CH4), N (NH3), and O (H2O) and, in particular, mixtures of these systems have rich high-pressure phase diagrams which are important for the structure, evolution and magnetic field of gas giant planets like Jupiter and ice giant planets like Neptune. Finally, we describe the impact of these results on the design of advanced interior, evolution, and dynamo models and give exemplary results for solar and extrasolar giant planets.
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Acknowledgements
We thank Mandy Bethkenhagen, Daniel Cebulla, David Ceperley, Michael Desjarlais, Martin French, Sebastien Hamel, Bastian Holst, Jonathan Fortney, Nadine Nettelmann, Robert Püstow, and David Stevenson for many helpful discussions. This work was supported by the Deutsche Forschungsgemeinschaft within the SFB 652, SPP 1385, SPP 1488, and the grant RE 882/11. Support by the North-German Supercomputing Alliance (HLRN) and the ITMZ of the University of Rostock is greatly acknowledged. Pictures of solar planets are taken from NASA/JPL/University of Arizona. This research has made use of the Exoplanet Orbit Database and the Exoplanet Data Explorer at exoplanets.org. We thank the Institute of Pure and Applied Mathematics, UCLA for the organization of the workshop series, the kind hospitality, and the support.
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Lorenzen, W., Becker, A., Redmer, R. (2014). Progress in Warm Dense Matter and Planetary Physics. In: Graziani, F., Desjarlais, M., Redmer, R., Trickey, S. (eds) Frontiers and Challenges in Warm Dense Matter. Lecture Notes in Computational Science and Engineering, vol 96. Springer, Cham. https://doi.org/10.1007/978-3-319-04912-0_8
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DOI: https://doi.org/10.1007/978-3-319-04912-0_8
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