Molecular Dynamics Studies of Two Particles in a Rectangular Box:Hard-Sphere and Square-Well Interactions

摘要

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.