Liquid methane at extreme temperature and pressure: implications for models of Uranus and Neptune
D. Richters, Th. D. Kühne+
Institute of Mathematics and Center for Computational Sciences, Johannes Gutenberg University Mainz,
D-55128 Mainz, Germany
+Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz,
D-55128 Mainz, Germany
Abstract
We present large scale electronic structure based molecular dynamics simulations of
liquid methane at planetary conditions. In particular, we address the controversy of
whether or not the interior of Uranus and Neptune consists of diamond. In our simulations
we find no evidence for the formation of diamond, but rather sp2-bonded polymeric
carbon. Furthermore, we predict that at high temperature hydrogen may exist in its
monoatomic and metallic state. The implications of our finding for the planetary models of
Uranus and Neptune are in detail discussed.