Relative motions in atomic fluids: A molecular dynamics investigation

The generalized time-dependent pair distribution function G2(R, R'; t) is examined for the first time by two molecular dynamics experiments in Lennard-Jones argon at room temperature and different densities. This function gives insight into the relative motion of atoms and plays an important role in all collision-induced phenomena. The results stress the features of G2 at intermediate and long times; in the latter case they are found to be in agreement with a simple theoretical model. The behavior of some physical quantities dependent on the relative motion of atoms is also discussed.