NEBULA BOUNDARY-CONDITIONS IN MONTE-CARLO SIMULATIONS

A new alternative to common periodic boundary conditions in Monte Carlo simulations is proposed. A very large system is simulated with elementary one-particle moves performed preferentially in the central region of a simulation cell and local quantities are measured in the same way. Using the Lennard-Jones liquid as a test system it is found that the new method gives more accurate values of thermodynamic quantities than a comparable standard isochoric simulation in periodic boundary conditions and that it is not worse than an isobaric simulation.