Structural and dynamical properties of hot dense matter by a Thomas-Fermi-Dirac molecular dynamicsF. Lambert1, J. Clérouin1 and S. Mazevet2
1 Département de Physique Théorique et Appliquée, CEA/DAM Ile-de-France BP 12, 91680 Bruyères-le-Châtel Cedex, France
2 Theoretical Division, Los Alamos National Laboratory Los Alamos, NM 87545, USA
received 16 May 2006; accepted in final form 18 July 2006
published online 4 August 2006
We use a model combining, in a consistent way, orbital-free density functional theory (OF-DFT) and molecular dynamics (MD), to compute the thermodynamical, structural and dynamical properties of Fe and Au plasmas at conditions relevant to astrophysics and inertial confinement fusion (ICF). The newly developed parallel numerical scheme presented here allows to propagate hundreds of particles and to obtain accurate transport properties. This allows us to investigate the validity of the commonly used one-component plasma (OCP) model in predicting the pair correlation, the diffusion and viscosity coefficients for these two high-temperature high-density plasmas.
02.70.Ns - Molecular dynamics and particle methods.
71.10.-w - Theories and models of many-electron systems.
52.25.Fi - Transport properties.
© EDP Sciences 2006