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Density Dependence of the Interrelation between Single Particle Motion and the Collective Dynamics in Liquid Sodium

Abstract Over a wide range of densities we have systematically investigated the single particle motion in liquid sodium in a series of quasielastic neutron scattering experiments. Our experimental results are in excellent agreement with predictions from molecular dynamics simulations and Mode-Coupling-Theory. The results allow to determine the microscopic mechanisms that control the single particle motion on atomic time- and length- scale and to relate these mechanisms to the values of the macroscopic diffusion coefficient at different densities. We can clearly distinguish three different density regimes where respectively three different coupling mechanisms between diffusive motion and collective modes dominate: At high density, particle diffusion is hindered and the main contribution to forward motion of a particle comes from a coupling to longitudinal density modes; however, at slightly reduced density the motion of the particle is coupled to transverse shear modes which cause an enhancement of the diffusive motion and hence of the diffusion coefficient. Only at very low density, the system gradually returns to particle dynamics which is controlled by binary collisions as predicted by simple hard sphere theories.