Molecular Dynamics Studies of Two Hard-Disk Particles in a Rectangular Box I. Thermodynamic Properties and Position Autocorrelation Functions

摘要

Molecular dynamics simulations have been carried out for the simple few-body systems of two hard-disk particles confined within a 2-dimensional rectangular box. Wall pressures, the collision frequencies, density profiles, two-particle probability distributions, and position autocorrelation functions were computed to examine the thermodynamic, structural and time-dependent properties of such systems. Excellent agreement was found between simulation results and theoretical predictions recently proposed by Munakata and Hu. Detailed dynamic effects are also discussed to describe configurational particle trajectories including fast/slow relaxation processes observed in the position autocorrelation functions.