Abstrakt

The static structure factor of monatomic liquids using an analytical expression for the hard-sphere correlation function

Hossein Nikoofard, Toktam Rezaye, Amir H.Amin

In the this work, we investigated the behavior of the static structure factor, S(k), for a dense classical insulating liquid based on an analytical expression for the hard-sphere radial distribution function (HS-RDF). Although HS-RDF gives a good description for the large angle behavior of S(k) over a wide range of densities, it fails to predict the low angle behavior of S(k) at low densities.A correction to the DCF for HS fluids, originally suggested by Henderson et al., is given, which removes this shortcoming. The applied DCF involves a reliable interaction, and allows one to obtain a good accuracy for the low-k behavior of S(k) over low densities. The closure considered here provides very well the Ornstein- Zernike (OZ) behavior of S(k) at low-k for monatomic fluids, and shows the regularity that a minimum S(k) varies linearly with density, which is correct just for insulator fluids.