Gibbs ensemble simulation of a 3D Lennard-Jones fluid

Demonstration:

LJ3GibbsApp.class

Downloads

Source code: LJ3GibbsApp.java.

Explanation

Gibbs ensemble method is a method of simulating liquid-gas phase coexistence.

We simulate two boxes simultaneously. In addition to the usual Monte Carlo move, we add a volume exchange and a particle exchange between the two boxes.

Note: we use a half-box cutoff to enable a fast volume change.