Molecular dynamics studies of two particles in a rectangular box: Hard-sphere and square-well interactions

Molecular dynamics simulations have been carried out for the simple few-body systems of two particles confined within a 2-dimensional rectangular box. The two different sets of interaction potentials between the colliding particles were employed in these studies: hard-sphere and square-well interactions. Wall pressures, the wall/particle and the particle/particle collision frequencies, and the position autocorrelation functions were computed to examine the thermodynamic, structural and time-dependent properties of such systems. Detailed dynamic effects are discussed to describe configurational particle trajectories including fast/slow relaxation processes observed in the position autocorrelation functions.