Molecular-dynamics study of the temperature-dependent two-dimensional Rb liquid in graphite

Publisher Website
Google Scholar
Abstract
A molecular-dynamics simulation of the two-dimensional modulated liquid state of Rb intercalated in graphite is reported in which the circular average of the static structure factor, S(q), is successfully fitted and the anisotropic liquid S(q) is calculated. All of the experimentally observed modulation features are reproduced and the liquid is then cooled on the computer to yield a temperature dependent S(q), an ordering (freezing) temperature, and an incommensurate ordered-state diffraction pattern in agreement with the data of Rousseaux and co-workers.